N-[4-[5-[(4,4-difluorocyclohexanecarbonyl)amino]-1-methylpyrazol-3-yl]-3-fluorophenyl]-2-methylpyridine-3-carboxamide

C24H24F3N5O2 — CID 170346233

IUPACN-[4-[5-[(4,4-difluorocyclohexanecarbonyl)amino]-1-methylpyrazol-3-yl]-3-fluorophenyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1ccc(-c2cc(NC(=O)C3CCC(F)(F)CC3)n(C)n2)c(F)c1
InChIInChI=1S/C24H24F3N5O2/c1-14-17(4-3-11-28-14)23(34)29-16-5-6-18(19(25)12-16)20-13-21(32(2)31-20)30-22(33)15-7-9-24(26,27)10-8-15/h3-6,11-13,15H,7-10H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyZHWIEIRPMHQSNT-UHFFFAOYSA-N
MW471.48 g/mol
LogP4.95
Rot. Bonds5

About N-[4-[5-[(4,4-difluorocyclohexanecarbonyl)amino]-1-methylpyrazol-3-yl]-3-fluorophenyl]-2-methylpyridine-3-carboxamide

N-[4-[5-[(4,4-difluorocyclohexanecarbonyl)amino]-1-methylpyrazol-3-yl]-3-fluorophenyl]-2-methylpyridine-3-carboxamide (PubChem CID 170346233) has the molecular formula C24H24F3N5O2 and a molecular weight of 471.48 g/mol. Its IUPAC name is N-[4-[5-[(4,4-difluorocyclohexanecarbonyl)amino]-1-methylpyrazol-3-yl]-3-fluorophenyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-[5-[(4,4-difluorocyclohexanecarbonyl)amino]-1-methylpyrazol-3-yl]-3-fluorophenyl]-2-methylpyridine-3-carboxamide
PubChem CID170346233
Molecular FormulaC24H24F3N5O2
Molecular Weight471.48 g/mol
Exact Mass471.19
IUPAC NameN-[4-[5-[(4,4-difluorocyclohexanecarbonyl)amino]-1-methylpyrazol-3-yl]-3-fluorophenyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncccc1C(=O)Nc1ccc(-c2cc(NC(=O)C3CCC(F)(F)CC3)n(C)n2)c(F)c1
InChIInChI=1S/C24H24F3N5O2/c1-14-17(4-3-11-28-14)23(34)29-16-5-6-18(19(25)12-16)20-13-21(32(2)31-20)30-22(33)15-7-9-24(26,27)10-8-15/h3-6,11-13,15H,7-10H2,1-2H3,(H,29,34)(H,30,33)
InChIKeyZHWIEIRPMHQSNT-UHFFFAOYSA-N
XLogP4.95
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[5-[(2-chlorobenzoyl)amino]-1-methylpyrazol-3-yl]phenyl]-2-methylpyridine-3-carboxamide
CID 170346149
2-methyl-N-(3-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 166198478
N-(1-methyl-3-pyridin-4-ylpyrazol-5-yl)cyclopropanecarboxamide
CID 134797879
N-(3-acetamidophenyl)-2-methylpyridine-3-carboxamide
CID 110861306
6-chloro-N-[3-(4-fluoro-2-methylphenyl)-1-methylpyrazol-5-yl]quinoline-7-carboxamide
CID 155287720
N-[3-(3-aminoprop-1-ynyl)-4-fluorophenyl]-2-methylpyridine-3-carboxamide
CID 104780767
N-(3,4-difluorophenyl)-2-(methylamino)pyridine-3-carboxamide
CID 55138096
N-(3-acetylphenyl)-2-methylpyridine-3-carboxamide
CID 78950839
6-chloro-N-[4-[5-(cyclohexanecarbonylamino)-1-methylpyrazol-3-yl]phenyl]cyclohexa-1,5-diene-1-carboxamide
CID 170596526
N-(3,4-difluorophenyl)-2-(ethylamino)pyridine-3-carboxamide
CID 62166522
4,4-difluoro-N-[1-methyl-3-(2-methylphenyl)pyrazol-5-yl]pyrrolidine-2-carboxamide;hydrochloride
CID 120954872
(3aS,6aR)-2-[[3-(2,4-difluorophenyl)-1-methylpyrazol-5-yl]carbamoyl]-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-3a-carboxylic acid
CID 122092028

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-[(4,4-difluorocyclohexanecarbonyl)amino]-1-methylpyrazol-3-yl]-3-fluorophenyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of N-[4-[5-[(4,4-difluorocyclohexanecarbonyl)amino]-1-methylpyrazol-3-yl]-3-fluorophenyl]-2-methylpyridine-3-carboxamide (CID 170346233) is N-[4-[5-[(4,4-difluorocyclohexanecarbonyl)amino]-1-methylpyrazol-3-yl]-3-fluorophenyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-[5-[(4,4-difluorocyclohexanecarbonyl)amino]-1-methylpyrazol-3-yl]-3-fluorophenyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for N-[4-[5-[(4,4-difluorocyclohexanecarbonyl)amino]-1-methylpyrazol-3-yl]-3-fluorophenyl]-2-methylpyridine-3-carboxamide is Cc1ncccc1C(=O)Nc1ccc(-c2cc(NC(=O)C3CCC(F)(F)CC3)n(C)n2)c(F)c1.
What is the InChIKey of N-[4-[5-[(4,4-difluorocyclohexanecarbonyl)amino]-1-methylpyrazol-3-yl]-3-fluorophenyl]-2-methylpyridine-3-carboxamide?
The InChIKey is ZHWIEIRPMHQSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N5O2/c1-14-17(4-3-11-28-14)23(34)29-16-5-6-18(19(25)12-16)20-13-21(32(2)31-20)30-22(33)15-7-9-24(26,27)10-8-15/h3-6,11-13,15H,7-10H2,1-2H3,(H,29,34)(H,30,33).
What are the key properties of N-[4-[5-[(4,4-difluorocyclohexanecarbonyl)amino]-1-methylpyrazol-3-yl]-3-fluorophenyl]-2-methylpyridine-3-carboxamide?
N-[4-[5-[(4,4-difluorocyclohexanecarbonyl)amino]-1-methylpyrazol-3-yl]-3-fluorophenyl]-2-methylpyridine-3-carboxamide has a molecular weight of 471.48 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-[(4,4-difluorocyclohexanecarbonyl)amino]-1-methylpyrazol-3-yl]-3-fluorophenyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 170346233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).