(s)-[3-(4-Fluoro-phenyl)-2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4h-pyrrolo[1,2-b]pyrazol-6-yl]-acetonitrile

HCID 9902141
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Basic information

Standard SMILES
Cc1cccc(-c2nn3c(c2-c2ccc(F)cc2)CC[C@H]3CC#N)n1
InChIKey
AKEQYYGHELROLY-INIZCTEOSA-N
Molecular formula
C20H17FN4
Average molar mass
332.4 g/mol

Names & identifiers

Preferred name
(s)-[3-(4-Fluoro-phenyl)-2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4h-pyrrolo[1,2-b]pyrazol-6-yl]-acetonitrile
IUPAC
2-[(6S)-3-(4-fluorophenyl)-2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-6-yl]acetonitrile

Names & synonyms

SCHEMBL413767AKEQYYGHELROLY-INIZCTEOSA-N(s)-[3-(4-fluoro-phenyl)-2-(6-methyl-pyridin-2-yl)-5,6-dihydro-4h-pyrrolo[1,2-b]pyrazol-6-yl]-acetonitrile

Database identifiers

PubChem CID
9902141

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
54.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
25

Related reactions

1 records
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Linked notes

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