5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide

C29H25F3N4O2 — CID 157356274

IUPAC5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cnn(C)c3)ccc2C(F)(F)F)cc1
InChIInChI=1S/C29H25F3N4O2/c1-17-8-11-19(12-9-17)34-26(37)22-14-18(10-13-23(22)29(30,31)32)21-6-5-7-24-25(21)28(2,3)27(38)36(24)20-15-33-35(4)16-20/h5-16H,1-4H3,(H,34,37)
InChIKeyNSHQOMBJTWFLKQ-UHFFFAOYSA-N
MW518.54 g/mol
LogP6.62
Rot. Bonds4

About 5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide

5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide (PubChem CID 157356274) has the molecular formula C29H25F3N4O2 and a molecular weight of 518.54 g/mol. Its IUPAC name is 5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
PubChem CID157356274
Molecular FormulaC29H25F3N4O2
Molecular Weight518.54 g/mol
Exact Mass518.19
IUPAC Name5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cnn(C)c3)ccc2C(F)(F)F)cc1
InChIInChI=1S/C29H25F3N4O2/c1-17-8-11-19(12-9-17)34-26(37)22-14-18(10-13-23(22)29(30,31)32)21-6-5-7-24-25(21)28(2,3)27(38)36(24)20-15-33-35(4)16-20/h5-16H,1-4H3,(H,34,37)
InChIKeyNSHQOMBJTWFLKQ-UHFFFAOYSA-N
XLogP6.62
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.54
LogP ≤ 56.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3,3-dimethyl-2-oxo-1-(1-oxopyrazol-1-ium-3-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 160875185
2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide
CID 157121940
6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide;5-[1-(5-fluoro-3-pyridinyl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide
CID 159281991
N-(4-methylphenyl)-5-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 157212946
5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-fluorophenyl)-2-methylpyridine-3-carboxamide
CID 146306789
N-(4-methylphenyl)-5-[3-(6-methyl-2-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 160643216
N-(4-methylphenyl)-5-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 146963456
N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)benzamide
CID 122630182
N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 70338497
5-[3-(2,3-difluorophenyl)-3aH-pyrazolo[1,5-a]pyridin-8-ium-7-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 159838768
N-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 146307411
methyl 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-2-(trifluoromethyl)benzoate
CID 146306714

Frequently Asked Questions

What is the IUPAC name of 5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide (CID 157356274) is 5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cnn(C)c3)ccc2C(F)(F)F)cc1.
What is the InChIKey of 5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is NSHQOMBJTWFLKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25F3N4O2/c1-17-8-11-19(12-9-17)34-26(37)22-14-18(10-13-23(22)29(30,31)32)21-6-5-7-24-25(21)28(2,3)27(38)36(24)20-15-33-35(4)16-20/h5-16H,1-4H3,(H,34,37).
What are the key properties of 5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 518.54 g/mol, XLogP of 6.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 157356274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).