Identitet

U6N2759Ssu

Inte angivet · C22H23N9O

01Identitet

Lazychem IDLC-33359
CAS RNInte angivet
PubChem CID163203209
Molecular formulaC22H23N9O
Molecular weight429.5 g/mol
IUPAC name3-[(3R,4R)-4-methyl-3-[methyl-[7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
InChIKeyASPWUTLKCKTSFM-PBHICJAKSA-N

02Struktur och stereokemi

2D structurePubChem CID 163203209
Two-dimensional chemical structure of U6N2759Ssu
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 5 rings, includes aromatic atoms, includes aliphatic carbon, has 2 defined stereocentres. These statements are calculated from the published structure string.

Defined stereocentres2
Ring count5
Secondary amines0
Tertiary amines1
SMILESC[C@@H]1CCN(C[C@@H]1N(C)C2=NC=NC3=C2C=CN3C4=NC=NC5=C4C=CN5)C(=O)CC#N
InChIInte angivet

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

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

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.

04Status i Indien

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Namn och relationer

API och moderläkemedel

Inte angivet

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      06Källor