(4,4-Difluoro-piperidin-1-yl)-{5-[3-((R)-2-methyl-pyrrolidin-1-yl)-propoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl}-methanone

HCID 16727353
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Basic information

Standard SMILES
C[C@@H]1CCCN1CCCOc1cnc2[nH]c(C(=O)N3CCC(F)(F)CC3)cc2c1
InChIKey
CFDWADYGBAOOON-OAHLLOKOSA-N
Molecular formula
C21H28F2N4O2
Average molar mass
406.5 g/mol

Names & identifiers

Preferred name
(4,4-Difluoro-piperidin-1-yl)-{5-[3-((R)-2-methyl-pyrrolidin-1-yl)-propoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl}-methanone
IUPAC
(4,4-difluoropiperidin-1-yl)-[5-[3-[(2R)-2-methylpyrrolidin-1-yl]propoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl]methanone

Names & synonyms

(4,4-Difluoro-piperidin-1-yl)-{5-[3-((R)-2-methyl-pyrrolidin-1-yl)-propoxy]-1H-pyrrolo[2,3-b]pyridin-2-yl}-methanoneSCHEMBL2868864

Database identifiers

PubChem CID
16727353

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
61.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
6
Heavy atoms
29

Related reactions

2 records
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Compound notes

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