3-(4-fluorophenyl)-N-[4-fluoro-3-(pyridine-2-carbonyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide

C27H17F2N5O2 — CID 143452195

IUPAC3-(4-fluorophenyl)-N-[4-fluoro-3-(pyridine-2-carbonyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESO=C(c1ccccn1)c1cc(NC(=O)c2cn(-c3ccccn3)nc2-c2ccc(F)cc2)ccc1F
InChIInChI=1S/C27H17F2N5O2/c28-18-9-7-17(8-10-18)25-21(16-34(33-25)24-6-2-4-14-31-24)27(36)32-19-11-12-22(29)20(15-19)26(35)23-5-1-3-13-30-23/h1-16H,(H,32,36)
InChIKeyCNPDPSJHGPQVJF-UHFFFAOYSA-N
MW481.46 g/mol
LogP5.09
Rot. Bonds6

About 3-(4-fluorophenyl)-N-[4-fluoro-3-(pyridine-2-carbonyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide

3-(4-fluorophenyl)-N-[4-fluoro-3-(pyridine-2-carbonyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide (PubChem CID 143452195) has the molecular formula C27H17F2N5O2 and a molecular weight of 481.46 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[4-fluoro-3-(pyridine-2-carbonyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[4-fluoro-3-(pyridine-2-carbonyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
PubChem CID143452195
Molecular FormulaC27H17F2N5O2
Molecular Weight481.46 g/mol
Exact Mass481.14
IUPAC Name3-(4-fluorophenyl)-N-[4-fluoro-3-(pyridine-2-carbonyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide
SMILESO=C(c1ccccn1)c1cc(NC(=O)c2cn(-c3ccccn3)nc2-c2ccc(F)cc2)ccc1F
InChIInChI=1S/C27H17F2N5O2/c28-18-9-7-17(8-10-18)25-21(16-34(33-25)24-6-2-4-14-31-24)27(36)32-19-11-12-22(29)20(15-19)26(35)23-5-1-3-13-30-23/h1-16H,(H,32,36)
InChIKeyCNPDPSJHGPQVJF-UHFFFAOYSA-N
XLogP5.09
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.46
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-chloro-5-[[3-(4-fluorophenyl)-1-pyridin-2-ylpyrazole-4-carbonyl]amino]benzoic acid
CID 143451800
4-[[3-(4-fluorophenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoic acid
CID 2360683
N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 2571943
3-[(4-fluorophenyl)methylamino]-N-phenyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 142770564
1-(4-fluorophenyl)-N-(4-methoxyphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18226016
methyl 4-[4-(4-chlorophenyl)sulfanyl-1-pyridin-2-ylpyrazol-3-yl]-2-fluorobenzoate
CID 44595665
N-(4-acetamidophenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 9110013
N-(3,4-difluorophenyl)-1-(3-fluorophenyl)-3-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 166792036
N-(3-chlorophenyl)-1-phenyl-3-pyridin-4-ylpyrazole-4-carboxamide
CID 166184461
N-(2,5-difluorophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55344475
5-[(2-fluorobenzoyl)amino]-2-(4-pyridin-2-ylpiperazin-1-yl)benzoic acid
CID 46363069
N-(3-carbamoyl-4-fluorophenyl)-3-(3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 167974587

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[4-fluoro-3-(pyridine-2-carbonyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[4-fluoro-3-(pyridine-2-carbonyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide (CID 143452195) is 3-(4-fluorophenyl)-N-[4-fluoro-3-(pyridine-2-carbonyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[4-fluoro-3-(pyridine-2-carbonyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[4-fluoro-3-(pyridine-2-carbonyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide is O=C(c1ccccn1)c1cc(NC(=O)c2cn(-c3ccccn3)nc2-c2ccc(F)cc2)ccc1F.
What is the InChIKey of 3-(4-fluorophenyl)-N-[4-fluoro-3-(pyridine-2-carbonyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
The InChIKey is CNPDPSJHGPQVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F2N5O2/c28-18-9-7-17(8-10-18)25-21(16-34(33-25)24-6-2-4-14-31-24)27(36)32-19-11-12-22(29)20(15-19)26(35)23-5-1-3-13-30-23/h1-16H,(H,32,36).
What are the key properties of 3-(4-fluorophenyl)-N-[4-fluoro-3-(pyridine-2-carbonyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide?
3-(4-fluorophenyl)-N-[4-fluoro-3-(pyridine-2-carbonyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide has a molecular weight of 481.46 g/mol, XLogP of 5.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[4-fluoro-3-(pyridine-2-carbonyl)phenyl]-1-pyridin-2-ylpyrazole-4-carboxamide is sourced from PubChem (CID 143452195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).