(S)-2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-(piperidin-3-yl)pyrimidin-4-amine

HCID 67287752
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Basic information

Standard SMILES
Fc1cnc(-c2c[nH]c3ncc(Cl)cc23)nc1N[C@H]1CCCNC1
InChIKey
NBZFAACAMGUXMO-JTQLQIEISA-N
Molecular formula
C16H16ClFN6
Average molar mass
346.79 g/mol

Names & identifiers

Preferred name
(S)-2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-(piperidin-3-yl)pyrimidin-4-amine
IUPAC
2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-[(3S)-piperidin-3-yl]pyrimidin-4-amine

Names & synonyms

SCHEMBL10008195NBZFAACAMGUXMO-JTQLQIEISA-N(S)-2-(5-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-5-fluoro-N-(piperidin-3-yl)pyrimidin-4-amine

Database identifiers

PubChem CID
67287752

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
78.5 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
6
Rotatable bonds
3
Heavy atoms
24

Related reactions

11 records
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Compound notes

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