(2-chloro-4-fluoro-3-(trifluoromethyl)phenyl)(8-methyl-4-(1H-pyrazol-5-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)methanone

HCID 90407253

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Basic information

Standard SMILES: CC1c2ncnc(-c3ccn[nH]3)c2CCN1C(=O)c1ccc(F)c(C(F)(F)F)c1Cl
InChIKey: SMPHHQCMNYIOMY-UHFFFAOYSA-N
Molecular formula: C19H14ClF4N5O
Average molar mass: 439.8 g/mol

Names & identifiers

Preferred name: (2-chloro-4-fluoro-3-(trifluoromethyl)phenyl)(8-methyl-4-(1H-pyrazol-5-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)methanone
IUPAC: [2-chloro-4-fluoro-3-(trifluoromethyl)phenyl]-[8-methyl-4-(1H-pyrazol-5-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]methanone

Names & synonyms

(2-chloro-4-fluoro-3-(trifluoromethyl)phenyl)(8-methyl-4-(1H-pyrazol-5-yl)-5,6-dihydropyrido[3,4-d]pyrimidin-7(8H)-yl)methanoneCHEMBL3674128SCHEMBL16033676BDBM173402US9096596, 115

Database identifiers

PubChem CID: 90407253
ChEMBL: CHEMBL3674128

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 74.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 2
Heavy atoms: 30
Formal charge: 0
Complexity: 641

Related reactions

1 records

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HRID 510238As productuspto-grants-2015_08

Compound notes

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