5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide

C88H74F6N12O6 — CID 158645926

IUPAC5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4Cc3ncccn3)ccc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ccccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)cnc2C(F)(F)F)cc1
InChIInChI=1S/C30H24F3N3O2.C30H28N4O2.C28H22F3N5O2/c1-18-10-13-20(14-11-18)35-27(37)22-17-19(12-15-23(22)30(31,32)33)21-7-6-8-24-26(21)29(2,3)28(38)36(24)25-9-4-5-16-34-25;1-19-9-13-22(14-10-19)33-28(35)24-17-21(12-11-20(24)2)23-7-5-8-25-27(23)30(3,4)29(36)34(25)18-26-31-15-6-16-32-26;1-16-8-10-18(11-9-16)35-24(37)20-14-17(15-34-23(20)28(29,30)31)19-6-4-7-21-22(19)27(2,3)25(38)36(21)26-32-12-5-13-33-26/h4-17H,1-3H3,(H,35,37);5-17H,18H2,1-4H3,(H,33,35);4-15H,1-3H3,(H,35,37)
InChIKeyIAYRIKDMZXZGKI-UHFFFAOYSA-N
MW1509.63 g/mol
LogP19.20
Rot. Bonds13

About 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide

5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide (PubChem CID 158645926) has the molecular formula C88H74F6N12O6 and a molecular weight of 1509.63 g/mol. Its IUPAC name is 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide
PubChem CID158645926
Molecular FormulaC88H74F6N12O6
Molecular Weight1509.63 g/mol
Exact Mass1508.58
IUPAC Name5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4Cc3ncccn3)ccc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ccccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)cnc2C(F)(F)F)cc1
InChIInChI=1S/C30H24F3N3O2.C30H28N4O2.C28H22F3N5O2/c1-18-10-13-20(14-11-18)35-27(37)22-17-19(12-15-23(22)30(31,32)33)21-7-6-8-24-26(21)29(2,3)28(38)36(24)25-9-4-5-16-34-25;1-19-9-13-22(14-10-19)33-28(35)24-17-21(12-11-20(24)2)23-7-5-8-25-27(23)30(3,4)29(36)34(25)18-26-31-15-6-16-32-26;1-16-8-10-18(11-9-16)35-24(37)20-14-17(15-34-23(20)28(29,30)31)19-6-4-7-21-22(19)27(2,3)25(38)36(21)26-32-12-5-13-33-26/h4-17H,1-3H3,(H,35,37);5-17H,18H2,1-4H3,(H,33,35);4-15H,1-3H3,(H,35,37)
InChIKeyIAYRIKDMZXZGKI-UHFFFAOYSA-N
XLogP19.20
TPSA225.57 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001509.63
LogP ≤ 519.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide with MolForge

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Related Compounds

3-[6-[9-[2-[1-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]piperidin-4-yl]ethyl]-3,9-diazaspiro[5.5]undecan-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155166628
3-[6-[4-[2-[3-[5-[(1R,3R)-2-(2-fluoro-2-methylpropyl)-3-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]pyrimidin-2-yl]-3,9-diazaspiro[5.5]undecan-9-yl]ethyl]piperidin-1-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 155166712
4-[8-amino-3-[(6R,8aS)-3-oxo-2,5,6,7,8,8a-hexahydro-1H-indolizin-6-yl]imidazo[1,5-a]pyrazin-1-yl]-3-(1,1-difluoroethyl)-N-[4-(trifluoromethyl)pyridin-2-yl]benzamide
CID 76901605
US11071730, Example 105
CID 146592462
US11203591, Example 74
CID 146763317
US11203591, Example 21B
CID 147224685
US11203591, Example 21A
CID 147224686
US11203591, Example 56
CID 147470122
US11203591, Example 54
CID 148476915
US11203591, Example 60
CID 148482280
US11203591, Example 75
CID 149467264
US11203591, Example 53
CID 152876274

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide?
The IUPAC name of 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide (CID 158645926) is 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide?
The canonical SMILES for 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4Cc3ncccn3)ccc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ccccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)cnc2C(F)(F)F)cc1.
What is the InChIKey of 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide?
The InChIKey is IAYRIKDMZXZGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F3N3O2.C30H28N4O2.C28H22F3N5O2/c1-18-10-13-20(14-11-18)35-27(37)22-17-19(12-15-23(22)30(31,32)33)21-7-6-8-24-26(21)29(2,3)28(38)36(24)25-9-4-5-16-34-25;1-19-9-13-22(14-10-19)33-28(35)24-17-21(12-11-20(24)2)23-7-5-8-25-27(23)30(3,4)29(36)34(25)18-26-31-15-6-16-32-26;1-16-8-10-18(11-9-16)35-24(37)20-14-17(15-34-23(20)28(29,30)31)19-6-4-7-21-22(19)27(2,3)25(38)36(21)26-32-12-5-13-33-26/h4-17H,1-3H3,(H,35,37);5-17H,18H2,1-4H3,(H,33,35);4-15H,1-3H3,(H,35,37).
What are the key properties of 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide?
5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide has a molecular weight of 1509.63 g/mol, XLogP of 19.20, 13 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-2-methyl-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 158645926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).