6-amino-4-[4-(difluoromethoxy)phenyl]-3-(furan-2-yl)-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile

HCID 4775992

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Basic information

CAS: 828280-25-7
Standard SMILES: N#CC1=C(N)Oc2c(c(-c3ccco3)nn2-c2ccccc2)C1c1ccc(OC(F)F)cc1
InChIKey: FPMRYVSUMBEYMP-UHFFFAOYSA-N
Molecular formula: C24H16F2N4O3
Average molar mass: 446.4 g/mol
Monoisotopic mass: 446.11904671

Names & identifiers

Preferred name: 6-amino-4-[4-(difluoromethoxy)phenyl]-3-(furan-2-yl)-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
IUPAC: 6-amino-4-[4-(difluoromethoxy)phenyl]-3-(furan-2-yl)-1-phenyl-4H-pyrano[3,2-d]pyrazole-5-carbonitrile

Names & synonyms

828280-25-76-Amino-4-[4-(difluoromethoxy)phenyl]-3-(2-furanyl)-1,4-dihydro-1-phenylpyrano[2,3-c]pyrazole-5-carbonitrile6-amino-4-[4-(difluoromethoxy)phenyl]-3-(furan-2-yl)-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrileDTXSID801109364STK306506AKOS0039938026-amino-4-[4-(difluoromethoxy)phenyl]-3-(furan-2-yl)-1-phenyl-4H-pyrano[2,3-c]pyrazole-5-carbonitrile6-amino-4-[4-(difluoromethoxy)phenyl]-3-(2-furyl)-1-phenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Database identifiers

CAS: 828280-25-7
PubChem CID: 4775992
DTXSID: DTXSID801109364

Properties

Computed structural properties

XLogP: 5.3
Topological polar surface area: 99.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 5
Heavy atoms: 33
Formal charge: 0
Complexity: 773

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