(S)-2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-(cyclopentylsulfonyl)pyrrolidin-3-yl)-5-fluoropyrimidin-4-amine

HCID 67285239
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Basic information

Standard SMILES
O=S(=O)(C1CCCC1)N1CC[C@H](Nc2nc(-c3c[nH]c4ncc(Cl)cc34)ncc2F)C1
InChIKey
OELPSIQLFZIVOA-ZDUSSCGKSA-N
Molecular formula
C20H22ClFN6O2S
Average molar mass
464.9 g/mol

Names & identifiers

Preferred name
(S)-2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-(cyclopentylsulfonyl)pyrrolidin-3-yl)-5-fluoropyrimidin-4-amine
IUPAC
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-[(3S)-1-cyclopentylsulfonylpyrrolidin-3-yl]-5-fluoropyrimidin-4-amine

Names & synonyms

SCHEMBL2124959OELPSIQLFZIVOA-ZDUSSCGKSA-N(S)-2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-N-(1-(cyclopentylsulfonyl)pyrrolidin-3-yl)-5-fluoropyrimidin-4-amine

Database identifiers

PubChem CID
67285239

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
112 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
5
Heavy atoms
31

Related reactions

2 records
New reaction record

Compound notes

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