6-cyclohexyl-4-(1-cyclopropylpyrazol-4-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide;ethane

C27H31F3N4O3 — CID 144977544

IUPAC6-cyclohexyl-4-(1-cyclopropylpyrazol-4-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide;ethane
SMILESCC.O=C(Nc1ccc(OC(F)(F)F)cc1)c1c(-c2cnn(C3CC3)c2)cc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C25H25F3N4O3.C2H6/c26-25(27,28)35-19-10-6-17(7-11-19)30-23(33)22-20(16-13-29-32(14-16)18-8-9-18)12-21(31-24(22)34)15-4-2-1-3-5-15;1-2/h6-7,10-15,18H,1-5,8-9H2,(H,30,33)(H,31,34);1-2H3
InChIKeyXCGVQADBWNFJNP-UHFFFAOYSA-N
MW516.56 g/mol
LogP6.80
Rot. Bonds6

About 6-cyclohexyl-4-(1-cyclopropylpyrazol-4-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide;ethane

6-cyclohexyl-4-(1-cyclopropylpyrazol-4-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide;ethane (PubChem CID 144977544) has the molecular formula C27H31F3N4O3 and a molecular weight of 516.56 g/mol. Its IUPAC name is 6-cyclohexyl-4-(1-cyclopropylpyrazol-4-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name6-cyclohexyl-4-(1-cyclopropylpyrazol-4-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide;ethane
PubChem CID144977544
Molecular FormulaC27H31F3N4O3
Molecular Weight516.56 g/mol
Exact Mass516.23
IUPAC Name6-cyclohexyl-4-(1-cyclopropylpyrazol-4-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide;ethane
SMILESCC.O=C(Nc1ccc(OC(F)(F)F)cc1)c1c(-c2cnn(C3CC3)c2)cc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C25H25F3N4O3.C2H6/c26-25(27,28)35-19-10-6-17(7-11-19)30-23(33)22-20(16-13-29-32(14-16)18-8-9-18)12-21(31-24(22)34)15-4-2-1-3-5-15;1-2/h6-7,10-15,18H,1-5,8-9H2,(H,30,33)(H,31,34);1-2H3
InChIKeyXCGVQADBWNFJNP-UHFFFAOYSA-N
XLogP6.80
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.56
LogP ≤ 56.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 4-[4-[2-hydroxy-5-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine-1-carboxylate
CID 171115707
2-[1-(oxan-4-yl)pyrazol-4-yl]-4-(trifluoromethoxy)benzonitrile
CID 172989752
4-[4-[2-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine
CID 166611106
2,5-dimethyl-N-[4-(trifluoromethoxy)phenyl]pyrazole-3-carboxamide
CID 19481229
tert-butyl 3-[4-[4-[5-[[4-[chloro(difluoro)methoxy]phenyl]carbamoyl]-2-[(3R)-3-hydroxypyrrolidin-1-yl]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]azetidine-1-carboxylate
CID 156786117
5-(4-fluoro-1H-pyrazol-5-yl)-6-pyrrolidin-1-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 123827734
6-methoxy-N-[1-[1-[4-(trifluoromethoxy)benzoyl]piperidin-4-yl]pyrazol-4-yl]-1H-indole-2-carboxamide
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6-cyclohexyl-N-(4-ethoxyphenyl)-5-fluoro-4-(4-methylphenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 129050853
2-[[4-[4-(trifluoromethoxy)phenyl]phenyl]carbamoyl]cyclopentene-1-carboxylic acid
CID 21084833
1-N,2-N,3-N-tris[4-(trifluoromethoxy)phenyl]benzene-1,2,3-tricarboxamide
CID 142144730
(7R)-4-hydroxy-7-methyl-2-oxo-N-[4-(trifluoromethoxy)phenyl]-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-b]pyridine-3-carboxamide
CID 95094915
6-[(1S,5R)-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl]-5-pyrimidin-5-yl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
CID 118919180

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-4-(1-cyclopropylpyrazol-4-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide;ethane?
The IUPAC name of 6-cyclohexyl-4-(1-cyclopropylpyrazol-4-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide;ethane (CID 144977544) is 6-cyclohexyl-4-(1-cyclopropylpyrazol-4-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide;ethane.
What is the SMILES notation for 6-cyclohexyl-4-(1-cyclopropylpyrazol-4-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide;ethane?
The canonical SMILES for 6-cyclohexyl-4-(1-cyclopropylpyrazol-4-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide;ethane is CC.O=C(Nc1ccc(OC(F)(F)F)cc1)c1c(-c2cnn(C3CC3)c2)cc(C2CCCCC2)[nH]c1=O.
What is the InChIKey of 6-cyclohexyl-4-(1-cyclopropylpyrazol-4-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide;ethane?
The InChIKey is XCGVQADBWNFJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N4O3.C2H6/c26-25(27,28)35-19-10-6-17(7-11-19)30-23(33)22-20(16-13-29-32(14-16)18-8-9-18)12-21(31-24(22)34)15-4-2-1-3-5-15;1-2/h6-7,10-15,18H,1-5,8-9H2,(H,30,33)(H,31,34);1-2H3.
What are the key properties of 6-cyclohexyl-4-(1-cyclopropylpyrazol-4-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide;ethane?
6-cyclohexyl-4-(1-cyclopropylpyrazol-4-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide;ethane has a molecular weight of 516.56 g/mol, XLogP of 6.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-4-(1-cyclopropylpyrazol-4-yl)-2-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridine-3-carboxamide;ethane is sourced from PubChem (CID 144977544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).