5-(4-amino-1-isopropyl-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrile

HCID 58209112

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Basic information

CAS: 1186647-74-4
Standard SMILES: CC(C)n1nc(-c2ccc(F)c(C#N)c2)c2c(N)nccc21
InChIKey: OSYHTKVXXOEPCO-UHFFFAOYSA-N
Molecular formula: C16H14FN5
Average molar mass: 295.31 g/mol
Monoisotopic mass: 295.12332367

Names & identifiers

Preferred name: 5-(4-amino-1-isopropyl-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrile
IUPAC: 5-(4-amino-1-propan-2-ylpyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrile

Names & synonyms

1186647-74-45-(4-amino-1-isopropyl-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-fluorobenzonitrilebenzonitrile,5-[4-amino-1-(1-methylethyl)-1h-pyrazolo[4,3-c]pyridin-3-yl]-2-fluoro-SCHEMBL1481552DTXSID10728945OSYHTKVXXOEPCO-UHFFFAOYSA-N5-[4-Amino-1-(propan-2-yl)-1H-pyrazolo[4,3-c]pyridin-3-yl]-2-fluorobenzonitrile

Database identifiers

CAS: 1186647-74-4
PubChem CID: 58209112
DTXSID: DTXSID10728945

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 80.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 447

Related reactions

1 records

New reaction record

HRID 475021As reactantuspto-grants-2014_01

Compound notes

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