2D structurePubChem CID 46188928
Ταυτότητα
Larotrectinib
Δεν αναφέρεται · C21H22F2N6O2
01Ταυτότητα
| Lazychem ID | LC-60218 |
|---|---|
| CAS RN | Δεν αναφέρεται |
| PubChem CID | 46188928 |
| Molecular formula | C21H22F2N6O2 |
| Molecular weight | 428.4 g/mol |
| IUPAC name | (3S)-N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-hydroxypyrrolidine-1-carboxamide |
| InChIKey | NYNZQNWKBKUAII-KBXCAEBGSA-N |
02Δομή και στερεοχημεία
2D structurePubChem CID 46188928
The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 2 |
|---|---|
| Ring count | 5 |
| Secondary amines | 0 |
| Tertiary amines | 1 |
| SMILES | C1C[C@@H](N(C1)C2=NC3=C(C=NN3C=C2)NC(=O)N4CC[C@@H](C4)O)C5=C(C=CC(=C5)F)F |
|---|---|
| InChI | Δεν αναφέρεται |
03Stereochemistry
The published structure contains 2 defined and 0 unassigned tetrahedral stereocentres. The exact wedge and dash depiction is shown above.
Defined centres2Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 4Before symmetry reduction
Published same-connectivity configurations
4 recordsThese records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.
2D structurePubChem CID 58386288
2D structurePubChem CID 121333495
![Two-dimensional chemical structure of (R)-N-(5-((S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide](/structures/pubchem/121333495-300.png)
(R)-N-(5-((S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide
CAS not listed
NYNZQNWKBKUAII-KDOFPFPSSA-N
2 defined, 0 unassigned centres
2D structurePubChem CID 121333500
![Two-dimensional chemical structure of (S)-N-(5-((S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide](/structures/pubchem/121333500-300.png)
(S)-N-(5-((S)-2-(2,5-difluorophenyl)pyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-3-yl)-3-hydroxypyrrolidine-1-carboxamide
CAS not listed
NYNZQNWKBKUAII-KSSFIOAISA-N
2 defined, 0 unassigned centres
Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.
04Κατάσταση στην Ινδία
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Ονόματα και σχέσεις
API και μητρικό φάρμακο
Δεν αναφέρεται
Ονόματα και σχέσεις
06Πηγές
- S01PubChem CID 46188928
Structure and machine-readable chemical identifiers.