2D structurePubChem CID 11626560
Identitate
Crizotinib
Nu este indicat · C21H22Cl2FN5O
01Identitate
| Lazychem ID | LC-76854 |
|---|---|
| CAS RN | Nu este indicat |
| PubChem CID | 11626560 |
| Molecular formula | C21H22Cl2FN5O |
| Molecular weight | 450.3 g/mol |
| IUPAC name | 3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine |
| InChIKey | KTEIFNKAUNYNJU-GFCCVEGCSA-N |
02Structură și stereochimie
2D structurePubChem CID 11626560
The parsed structure contains 4 rings, includes aromatic atoms, includes aliphatic carbon, has 1 defined stereocentre, contains at least one halogen atom. These statements are calculated from the published structure string.
| Defined stereocentres | 1 |
|---|---|
| Ring count | 4 |
| Secondary amines | 1 |
| Tertiary amines | 0 |
| SMILES | C[C@H](C1=C(C=CC(=C1Cl)F)Cl)OC2=C(N=CC(=C2)C3=CN(N=C3)C4CCNCC4)N |
|---|---|
| InChI | Nu este indicat |
03Stereochemistry
The published structure contains 1 defined and 0 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.
Defined centres1Structure assigned
Unassigned centres0Structure unspecified
Assignment statusFully assignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction
Published same-connectivity configurations
3 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 11597571
3-(1-(2,6-Dichloro-3-fluorophenyl)ethoxy)-5-(1-(piperidin-4-yl)-1H-pyrazol-4-yl)pyridin-2-amine
CAS not listed
KTEIFNKAUNYNJU-UHFFFAOYSA-N
0 defined, 1 unassigned centres
2D structurePubChem CID 56671814
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.
04Statut în India
Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.
05Denumiri și relații
API și medicament părinte
Nu este indicat
Denumiri și relații
06Surse
- S01PubChem CID 11626560
Structure and machine-readable chemical identifiers.