2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide

C28H22F3N5O2 — CID 157121940

IUPAC2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ncc2C(F)(F)F)cc1
InChIInChI=1S/C28H22F3N5O2/c1-16-8-10-17(11-9-16)35-24(37)19-14-21(34-15-20(19)28(29,30)31)18-6-4-7-22-23(18)27(2,3)25(38)36(22)26-32-12-5-13-33-26/h4-15H,1-3H3,(H,35,37)
InChIKeyIIAXZFGQINRTMM-UHFFFAOYSA-N
MW517.51 g/mol
LogP6.07
Rot. Bonds4

About 2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide

2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide (PubChem CID 157121940) has the molecular formula C28H22F3N5O2 and a molecular weight of 517.51 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide
PubChem CID157121940
Molecular FormulaC28H22F3N5O2
Molecular Weight517.51 g/mol
Exact Mass517.17
IUPAC Name2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ncc2C(F)(F)F)cc1
InChIInChI=1S/C28H22F3N5O2/c1-16-8-10-17(11-9-16)35-24(37)19-14-21(34-15-20(19)28(29,30)31)18-6-4-7-22-23(18)27(2,3)25(38)36(22)26-32-12-5-13-33-26/h4-15H,1-3H3,(H,35,37)
InChIKeyIIAXZFGQINRTMM-UHFFFAOYSA-N
XLogP6.07
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.51
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3,3-dimethyl-1-(1-methylpyrazol-4-yl)-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 157356274
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
5-[3,3-dimethyl-2-oxo-1-(1-oxopyrazol-1-ium-3-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 160875185
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-(1-methyl-3-pyrimidin-2-ylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
CID 146963456
methyl 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-2-(trifluoromethyl)benzoate
CID 146306714
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-[3-(3-methyltriazol-4-yl)imidazo[1,5-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 157212946
N-(4-fluorophenyl)-5-methyl-2-(trifluoromethyl)benzamide
CID 122630182
N-[4-(2-methylphenyl)phenyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 70338497
1-methyl-4-oxo-N-[4-pyridin-2-yl-3-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 57402392
N-(4-fluorophenyl)-5-[3-(6-methyl-3-pyridinyl)imidazo[1,2-a]pyridin-8-yl]-2-(trifluoromethyl)benzamide
CID 146307411

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide?
The IUPAC name of 2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide (CID 157121940) is 2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide is Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ncc2C(F)(F)F)cc1.
What is the InChIKey of 2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide?
The InChIKey is IIAXZFGQINRTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22F3N5O2/c1-16-8-10-17(11-9-16)35-24(37)19-14-21(34-15-20(19)28(29,30)31)18-6-4-7-22-23(18)27(2,3)25(38)36(22)26-32-12-5-13-33-26/h4-15H,1-3H3,(H,35,37).
What are the key properties of 2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide?
2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide has a molecular weight of 517.51 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide is sourced from PubChem (CID 157121940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).