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

C25H23F6N5O3 — CID 130248734

IUPAC2-[4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide
SMILESCn1cc(-c2cc(C(=O)NC3CCC(Oc4ncccc4C(N)=O)CC3)cc(C(F)(F)F)c2)c(C(F)(F)F)n1
InChIInChI=1S/C25H23F6N5O3/c1-36-12-19(20(35-36)25(29,30)31)13-9-14(11-15(10-13)24(26,27)28)22(38)34-16-4-6-17(7-5-16)39-23-18(21(32)37)3-2-8-33-23/h2-3,8-12,16-17H,4-7H2,1H3,(H2,32,37)(H,34,38)
InChIKeyVGJUFOAIEJYPMW-UHFFFAOYSA-N
MW555.48 g/mol
LogP4.74
Rot. Bonds6

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

2-[4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide (PubChem CID 130248734) has the molecular formula C25H23F6N5O3 and a molecular weight of 555.48 g/mol. Its IUPAC name is 2-[4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide.

Molecular Properties

Compound Name2-[4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide
PubChem CID130248734
Molecular FormulaC25H23F6N5O3
Molecular Weight555.48 g/mol
Exact Mass555.17
IUPAC Name2-[4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide
SMILESCn1cc(-c2cc(C(=O)NC3CCC(Oc4ncccc4C(N)=O)CC3)cc(C(F)(F)F)c2)c(C(F)(F)F)n1
InChIInChI=1S/C25H23F6N5O3/c1-36-12-19(20(35-36)25(29,30)31)13-9-14(11-15(10-13)24(26,27)28)22(38)34-16-4-6-17(7-5-16)39-23-18(21(32)37)3-2-8-33-23/h2-3,8-12,16-17H,4-7H2,1H3,(H2,32,37)(H,34,38)
InChIKeyVGJUFOAIEJYPMW-UHFFFAOYSA-N
XLogP4.74
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500555.48
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
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
US10844044, Example 347
CID 146456898
US10844044, Example 349
CID 146457363
N-[1-(3,4-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-methoxynicotinamide
CID 24790310

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide?
The IUPAC name of 2-[4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide (CID 130248734) is 2-[4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide.
What is the SMILES notation for 2-[4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide?
The canonical SMILES for 2-[4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide is Cn1cc(-c2cc(C(=O)NC3CCC(Oc4ncccc4C(N)=O)CC3)cc(C(F)(F)F)c2)c(C(F)(F)F)n1.
What is the InChIKey of 2-[4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide?
The InChIKey is VGJUFOAIEJYPMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F6N5O3/c1-36-12-19(20(35-36)25(29,30)31)13-9-14(11-15(10-13)24(26,27)28)22(38)34-16-4-6-17(7-5-16)39-23-18(21(32)37)3-2-8-33-23/h2-3,8-12,16-17H,4-7H2,1H3,(H2,32,37)(H,34,38).
What are the key properties of 2-[4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide?
2-[4-[[3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide has a molecular weight of 555.48 g/mol, XLogP of 4.74, 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-methyl-3-(trifluoromethyl)pyrazol-4-yl]-5-(trifluoromethyl)benzoyl]amino]cyclohexyl]oxypyridine-3-carboxamide is sourced from PubChem (CID 130248734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).