3,5-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pyridine-4-carboxamide

C17H10F6N4O — CID 90396021

IUPAC3,5-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pyridine-4-carboxamide
SMILESCn1cc(-c2ccc(NC(=O)c3c(F)cncc3F)cc2F)c(C(F)(F)F)n1
InChIInChI=1S/C17H10F6N4O/c1-27-7-10(15(26-27)17(21,22)23)9-3-2-8(4-11(9)18)25-16(28)14-12(19)5-24-6-13(14)20/h2-7H,1H3,(H,25,28)
InChIKeyUWAOIGZGXHXVMM-UHFFFAOYSA-N
MW400.28 g/mol
LogP4.17
Rot. Bonds3

About 3,5-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pyridine-4-carboxamide

3,5-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pyridine-4-carboxamide (PubChem CID 90396021) has the molecular formula C17H10F6N4O and a molecular weight of 400.28 g/mol. Its IUPAC name is 3,5-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pyridine-4-carboxamide
PubChem CID90396021
Molecular FormulaC17H10F6N4O
Molecular Weight400.28 g/mol
Exact Mass400.08
IUPAC Name3,5-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pyridine-4-carboxamide
SMILESCn1cc(-c2ccc(NC(=O)c3c(F)cncc3F)cc2F)c(C(F)(F)F)n1
InChIInChI=1S/C17H10F6N4O/c1-27-7-10(15(26-27)17(21,22)23)9-3-2-8(4-11(9)18)25-16(28)14-12(19)5-24-6-13(14)20/h2-7H,1H3,(H,25,28)
InChIKeyUWAOIGZGXHXVMM-UHFFFAOYSA-N
XLogP4.17
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.28
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-difluoro-N-[3-fluoro-4-[1-(1,3-thiazol-2-yl)-3-(trifluoromethyl)pyrazol-4-yl]phenyl]benzamide
CID 118010088
3,5-difluoro-N-[3-fluoro-4-[2-(trifluoromethyl)anilino]phenyl]pyridine-4-carboxamide
CID 90396026
2,4-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]benzamide
CID 90393863
1-(4-chlorophenyl)-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]urea
CID 2807795
1-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008593
N-(3-chloro-4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008367
4-ethyl-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-1,2-thiazole-5-carboxamide
CID 90393649
N-(3,4-difluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5301131
N-[4-(methanesulfonamido)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87020352
N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]phenyl]-3-methyl-1,2-thiazole-4-carboxamide
CID 90395928
N-[2-(5-chloro-2-fluorophenyl)phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 68915098
N-(3-ethynylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008609

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 3,5-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pyridine-4-carboxamide (CID 90396021) is 3,5-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3,5-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pyridine-4-carboxamide is Cn1cc(-c2ccc(NC(=O)c3c(F)cncc3F)cc2F)c(C(F)(F)F)n1.
What is the InChIKey of 3,5-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is UWAOIGZGXHXVMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N4O/c1-27-7-10(15(26-27)17(21,22)23)9-3-2-8(4-11(9)18)25-16(28)14-12(19)5-24-6-13(14)20/h2-7H,1H3,(H,25,28).
What are the key properties of 3,5-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pyridine-4-carboxamide?
3,5-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 400.28 g/mol, XLogP of 4.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[3-fluoro-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 90396021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).