N-(3,4-difluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

C20H14F2N4O2 — CID 16812539

IUPACN-(3,4-difluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(F)c(F)c2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C20H14F2N4O2/c1-25-10-14(19(27)23-12-7-8-16(21)17(22)9-12)18-15(11-25)20(28)26(24-18)13-5-3-2-4-6-13/h2-11H,1H3,(H,23,27)
InChIKeyFMCFDYCSEHIGAD-UHFFFAOYSA-N
MW380.35 g/mol
LogP3.21
Rot. Bonds3

About N-(3,4-difluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide

N-(3,4-difluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (PubChem CID 16812539) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
PubChem CID16812539
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC NameN-(3,4-difluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide
SMILESCn1cc(C(=O)Nc2ccc(F)c(F)c2)c2nn(-c3ccccc3)c(=O)c-2c1
InChIInChI=1S/C20H14F2N4O2/c1-25-10-14(19(27)23-12-7-8-16(21)17(22)9-12)18-15(11-25)20(28)26(24-18)13-5-3-2-4-6-13/h2-11H,1H3,(H,23,27)
InChIKeyFMCFDYCSEHIGAD-UHFFFAOYSA-N
XLogP3.21
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-oxo-N,1-diphenyl-4-(trifluoromethyl)-1,6-dihydro-3-pyridazinecarboxamide
CID 1489974
N-methyl-6-oxo-N-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 16262858
1-(3,4-difluorophenyl)-N-(2-methylphenyl)-4-oxo-1,4-dihydro-3-pyridazinecarboxamide
CID 1481279
4-(Dimethylaminomethylidene)-2-phenyl-5-(trifluoromethyl)pyrazol-3-one
CID 3693963
(4E)-4-[(dimethylamino)methylidene]-2-(4-fluorophenyl)-5-propyl-2,4-dihydro-3H-pyrazol-3-one
CID 5292109
(4E)-4-(dimethylaminomethylidene)-2-phenyl-5-(trifluoromethyl)pyrazol-3-one
CID 706219
N-(3-chloro-4-fluorophenyl)-5-methyl-3-oxo-2-phenyl-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 16801791
5-ethyl-3-oxo-2-phenyl-N-(3-(trifluoromethyl)phenyl)-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 16820370
N-(3-fluorophenyl)-3-oxo-2-phenyl-5-((tetrahydrofuran-2-yl)methyl)-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 18570592
N-(2,6-difluorobenzyl)-3-oxo-2-phenyl-5-propyl-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 44015778
N-(2,6-difluorobenzyl)-5-(2-methoxyethyl)-3-oxo-2-phenyl-3,5-dihydro-2H-pyrazolo[4,3-c]pyridine-7-carboxamide
CID 44015791
N-(4-fluorophenyl)-4-oxo-1-phenyl-1,4-dihydropyridazine-3-carboxamide
CID 16452698

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The IUPAC name of N-(3,4-difluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide (CID 16812539) is N-(3,4-difluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The canonical SMILES for N-(3,4-difluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is Cn1cc(C(=O)Nc2ccc(F)c(F)c2)c2nn(-c3ccccc3)c(=O)c-2c1.
What is the InChIKey of N-(3,4-difluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
The InChIKey is FMCFDYCSEHIGAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c1-25-10-14(19(27)23-12-7-8-16(21)17(22)9-12)18-15(11-25)20(28)26(24-18)13-5-3-2-4-6-13/h2-11H,1H3,(H,23,27).
What are the key properties of N-(3,4-difluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide?
N-(3,4-difluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide has a molecular weight of 380.35 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-5-methyl-3-oxo-2-phenylpyrazolo[4,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 16812539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).