N49NT4J7NX

HCID 136355697

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Basic information

CAS: 947254-10-6
Standard SMILES: C[N+](C)(C)CCO.O=c1c2nnc3c(F)cccc3c2[nH]n1-c1ccc(C([O-])=NCC(F)F)cc1
InChIKey: GVDVLJVCYHDSEP-UHFFFAOYSA-M
Molecular formula: C23H25F3N6O3
Average molar mass: 490.5 g/mol
Monoisotopic mass: 490.19402317

Names & identifiers

Preferred name: N49NT4J7NX
IUPAC: N-(2,2-difluoroethyl)-4-(6-fluoro-3-oxo-1H-pyrazolo[4,3-c]cinnolin-2-yl)benzenecarboximidate;2-hydroxyethyl(trimethyl)azanium

Names & synonyms

N49NT4J7NXUNII-N49NT4J7NX947254-10-6N-(2,2-Difluoroethyl)-4-(6-fluoro-3-oxo-1,3-dihydropyrazolo(4,3-C)cinnolin-2-yl)-benzamide cholineN-(2,2-Difluoroethyl)-4-(6-fluoro-3-oxo-1,3-dihydropyrazolo(4,3-C)cinnolin-2-yl)-benzamide choline salt2-[4-(2,2-Difluoro-ethylcarbamoyl)-phenyl]-6-fluoro-2H-pyrazolo[4,3-c]cinnolin-3-olate (2-hydroxy-ethyl)-trimethyl-ammoniumSCHEMBL237147

Database identifiers

CAS: 947254-10-6
PubChem CID: 136355697
UNII: N49NT4J7NX

Properties

Computed structural properties

Topological polar surface area: 114 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 10
Rotatable bonds: 6
Heavy atoms: 35
Formal charge: 0
Complexity: 661

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