2-[4-[[3-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide

C25H26F3N5O3 — CID 130249170

IUPAC2-[4-[[3-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)NC2CCC(Oc3ncccc3C(N)=O)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C25H26F3N5O3/c1-14-21(13-33(2)32-14)15-10-16(12-17(11-15)25(26,27)28)23(35)31-18-5-7-19(8-6-18)36-24-20(22(29)34)4-3-9-30-24/h3-4,9-13,18-19H,5-8H2,1-2H3,(H2,29,34)(H,31,35)
InChIKeyRZQCPRBYYIGGBV-UHFFFAOYSA-N
MW501.51 g/mol
LogP4.03
Rot. Bonds6

About 2-[4-[[3-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide

2-[4-[[3-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide (PubChem CID 130249170) has the molecular formula C25H26F3N5O3 and a molecular weight of 501.51 g/mol. Its IUPAC name is 2-[4-[[3-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[[3-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide
PubChem CID130249170
Molecular FormulaC25H26F3N5O3
Molecular Weight501.51 g/mol
Exact Mass501.20
IUPAC Name2-[4-[[3-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide
SMILESCc1nn(C)cc1-c1cc(C(=O)NC2CCC(Oc3ncccc3C(N)=O)CC2)cc(C(F)(F)F)c1
InChIInChI=1S/C25H26F3N5O3/c1-14-21(13-33(2)32-14)15-10-16(12-17(11-15)25(26,27)28)23(35)31-18-5-7-19(8-6-18)36-24-20(22(29)34)4-3-9-30-24/h3-4,9-13,18-19H,5-8H2,1-2H3,(H2,29,34)(H,31,35)
InChIKeyRZQCPRBYYIGGBV-UHFFFAOYSA-N
XLogP4.03
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.51
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-[4-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoropyridine-3-carboxamide
CID 44518169
N-[3-(2-Methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-yl-ethoxy)-phenyl]-3-trifluoromethyl-benzamide
CID 46833075
5-fluoro-N-[4-[[1-methyl-5-(trifluoromethyl)pyrazole-3-carbonyl]amino]cyclohexyl]-2-[3-[4-(3-piperazin-1-ylpropyl)phenyl]phenoxy]pyridine-3-carboxamide
CID 59190420
2-[3-[3-[[(3R,5S)-3,5-dimethylpiperazin-1-yl]methyl]phenyl]phenoxy]-N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoropyridine-3-carboxamide
CID 59190479
2-[3-[4-[3-[(3S,5R)-3,5-dimethylpiperazin-1-yl]propyl]phenyl]phenoxy]-N-[4-[(1,5-dimethylpyrazole-3-carbonyl)amino]cyclohexyl]-5-fluoropyridine-3-carboxamide
CID 59190548
N-(2-(((1-phenyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)carbonyl)amino)ethyl)-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 46865791
6-Ethoxy-N-[2-({[1-phenyl-3-(trifluoromethyl)-1Hpyrazol-4-yl]carbonyl}amino)ethyl]pyridine-3-carboxamide
CID 46885191
5-(1-Methyl-1H-pyrazol-5-yl)-2-[(phenyl methyl)oxy]-N-3-pyridinylbenzamide
CID 67107000
2-{[(4-Fluorophenyl)methyl]oxy}-5-(1-methyl-1H-pyrazol-4-yl)-N-3-pyridinylbenzamide
CID 67107333
5-(1-methylpyrazol-4-yl)-2-phenylmethoxy-N-pyridin-3-ylbenzamide
CID 69937003
3-(Trifluoromethyl)-N-[4-[[3-[[5-(trifluoromethyl)-2-pyridyl]oxy]-phenyl]methylene]cyclohexyl]-1H-pyrazole-4-carboxamide
CID 89463692
2-methyl-N-[(3S,6R)-6-[2-[2-(2,2,2-trifluoroethoxy)-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]oxan-3-yl]pyrazolo[1,5-a]pyridine-4-carboxamide
CID 138671187

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[4-[[3-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide (CID 130249170) is 2-[4-[[3-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[[3-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[4-[[3-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide is Cc1nn(C)cc1-c1cc(C(=O)NC2CCC(Oc3ncccc3C(N)=O)CC2)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[[3-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide?
The InChIKey is RZQCPRBYYIGGBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O3/c1-14-21(13-33(2)32-14)15-10-16(12-17(11-15)25(26,27)28)23(35)31-18-5-7-19(8-6-18)36-24-20(22(29)34)4-3-9-30-24/h3-4,9-13,18-19H,5-8H2,1-2H3,(H2,29,34)(H,31,35).
What are the key properties of 2-[4-[[3-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide?
2-[4-[[3-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide has a molecular weight of 501.51 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(1,3-dimethylpyrazol-4-yl)-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide is sourced from PubChem (CID 130249170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).