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

C86H69F9N12O6 — CID 157267254

IUPAC5-[1-(1,4-dihydropyrimidin-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide
SMILESCC1(C)C(=O)N(c2ncccn2)c2cccc(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccccc4)c3)c21.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4C3=NCC=CN3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cccnc3)cnc2C(F)(F)F)cc1
InChIInChI=1S/C29H23F3N4O2.C29H25F3N4O2.C28H21F3N4O2/c1-17-9-11-19(12-10-17)35-26(37)22-14-18(15-34-25(22)29(30,31)32)21-7-4-8-23-24(21)28(2,3)27(38)36(23)20-6-5-13-33-16-20;1-17-8-11-19(12-9-17)35-25(37)21-16-18(10-13-22(21)29(30,31)32)20-6-4-7-23-24(20)28(2,3)26(38)36(23)27-33-14-5-15-34-27;1-27(2)23-19(10-6-11-22(23)35(25(27)37)26-32-14-7-15-33-26)17-12-13-21(28(29,30)31)20(16-17)24(36)34-18-8-4-3-5-9-18/h4-16H,1-3H3,(H,35,37);4-14,16H,15H2,1-3H3,(H,33,34)(H,35,37);3-16H,1-2H3,(H,34,36)
InChIKeyAYDFMKLRFUFYME-UHFFFAOYSA-N
MW1537.56 g/mol
LogP19.08
Rot. Bonds11

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

5-[1-(1,4-dihydropyrimidin-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide (PubChem CID 157267254) has the molecular formula C86H69F9N12O6 and a molecular weight of 1537.56 g/mol. Its IUPAC name is 5-[1-(1,4-dihydropyrimidin-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-[1-(1,4-dihydropyrimidin-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide
PubChem CID157267254
Molecular FormulaC86H69F9N12O6
Molecular Weight1537.56 g/mol
Exact Mass1536.53
IUPAC Name5-[1-(1,4-dihydropyrimidin-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide
SMILESCC1(C)C(=O)N(c2ncccn2)c2cccc(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccccc4)c3)c21.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4C3=NCC=CN3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cccnc3)cnc2C(F)(F)F)cc1
InChIInChI=1S/C29H23F3N4O2.C29H25F3N4O2.C28H21F3N4O2/c1-17-9-11-19(12-10-17)35-26(37)22-14-18(15-34-25(22)29(30,31)32)21-7-4-8-23-24(21)28(2,3)27(38)36(23)20-6-5-13-33-16-20;1-17-8-11-19(12-9-17)35-25(37)21-16-18(10-13-22(21)29(30,31)32)20-6-4-7-23-24(20)28(2,3)26(38)36(23)27-33-14-5-15-34-27;1-27(2)23-19(10-6-11-22(23)35(25(27)37)26-32-14-7-15-33-26)17-12-13-21(28(29,30)31)20(16-17)24(36)34-18-8-4-3-5-9-18/h4-16H,1-3H3,(H,35,37);4-14,16H,15H2,1-3H3,(H,33,34)(H,35,37);3-16H,1-2H3,(H,34,36)
InChIKeyAYDFMKLRFUFYME-UHFFFAOYSA-N
XLogP19.08
TPSA224.18 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds11
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001537.56
LogP ≤ 519.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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

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Related Compounds

US11203591, Example 74
CID 146763317
US11203591, Example 177
CID 147060131
US11203591, Example 21B
CID 147224685
US11203591, Example 21A
CID 147224686
US11203591, Example 178
CID 147431652
US11203591, Example 56
CID 147470122
US11203591, Example 86
CID 147772638
US11203591, Example 105
CID 147775904
US11203591, Example 105B
CID 147775905
US11203591, Example 105A
CID 147775906
US11203591, Example 239
CID 148105895
US11203591, Example 91
CID 148340992

Frequently Asked Questions

What is the IUPAC name of 5-[1-(1,4-dihydropyrimidin-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-[1-(1,4-dihydropyrimidin-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide (CID 157267254) is 5-[1-(1,4-dihydropyrimidin-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-[1-(1,4-dihydropyrimidin-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-[1-(1,4-dihydropyrimidin-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide is CC1(C)C(=O)N(c2ncccn2)c2cccc(-c3ccc(C(F)(F)F)c(C(=O)Nc4ccccc4)c3)c21.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4C3=NCC=CN3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cccnc3)cnc2C(F)(F)F)cc1.
What is the InChIKey of 5-[1-(1,4-dihydropyrimidin-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide?
The InChIKey is AYDFMKLRFUFYME-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F3N4O2.C29H25F3N4O2.C28H21F3N4O2/c1-17-9-11-19(12-10-17)35-26(37)22-14-18(15-34-25(22)29(30,31)32)21-7-4-8-23-24(21)28(2,3)27(38)36(23)20-6-5-13-33-16-20;1-17-8-11-19(12-9-17)35-25(37)21-16-18(10-13-22(21)29(30,31)32)20-6-4-7-23-24(20)28(2,3)26(38)36(23)27-33-14-5-15-34-27;1-27(2)23-19(10-6-11-22(23)35(25(27)37)26-32-14-7-15-33-26)17-12-13-21(28(29,30)31)20(16-17)24(36)34-18-8-4-3-5-9-18/h4-16H,1-3H3,(H,35,37);4-14,16H,15H2,1-3H3,(H,33,34)(H,35,37);3-16H,1-2H3,(H,34,36).
What are the key properties of 5-[1-(1,4-dihydropyrimidin-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide?
5-[1-(1,4-dihydropyrimidin-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide has a molecular weight of 1537.56 g/mol, XLogP of 19.08, 11 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1,4-dihydropyrimidin-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-phenyl-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 157267254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).