Pyrazolo[3,4-d]pyrido[1,2-a]pyrimidin-4(1h)-one

HCID 269396

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Basic information

CAS: 17326-30-6
Standard SMILES: O=c1c2cn[nH]c2nc2ccccn12
InChIKey: AKOCCXIPEFYLFG-UHFFFAOYSA-N
Molecular formula: C9H6N4O
Average molar mass: 186.17 g/mol
Monoisotopic mass: 186.05416083

Names & identifiers

Preferred name: Pyrazolo[3,4-d]pyrido[1,2-a]pyrimidin-4(1h)-one
IUPAC: 1,5,6,8-tetrazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one

Names & synonyms

pyrazolo[3,4-d]pyrido[1,2-a]pyrimidin-4(1h)-one17326-30-6HMS1619A21NSC110391CHEMBL4576818DTXSID40296607AKOS016027323NSC-110391ST452432645-hydropyrazolo[5,4-d]pyridino[1,2-a]pyrimidin-4-one

Database identifiers

CAS: 17326-30-6
PubChem CID: 269396
DTXSID: DTXSID40296607
ChEMBL: CHEMBL4576818

Properties

Computed structural properties

XLogP: 0.2
Topological polar surface area: 61.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 14
Formal charge: 0
Complexity: 371

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