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

C85H68F9N13O6 — CID 159506780

IUPAC5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCC1(C)C(=O)N(c2ncccn2)c2cccc(-c3ccc(C(F)(F)F)c(C(=O)Nc4cccnc4)c3)c21.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4Cc3ncccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cnc[nH]3)ccc2C(F)(F)F)cc1
InChIInChI=1S/C30H25F3N4O2.C28H23F3N4O2.C27H20F3N5O2/c1-18-8-11-20(12-9-18)36-27(38)22-16-19(10-13-23(22)30(31,32)33)21-6-4-7-24-26(21)29(2,3)28(39)37(24)17-25-34-14-5-15-35-25;1-16-7-10-18(11-8-16)34-25(36)20-13-17(9-12-21(20)28(29,30)31)19-5-4-6-22-24(19)27(2,3)26(37)35(22)23-14-32-15-33-23;1-26(2)22-18(7-3-8-21(22)35(24(26)37)25-32-12-5-13-33-25)16-9-10-20(27(28,29)30)19(14-16)23(36)34-17-6-4-11-31-15-17/h4-16H,17H2,1-3H3,(H,36,38);4-15H,1-3H3,(H,32,33)(H,34,36);3-15H,1-2H3,(H,34,36)
InChIKeyMABYLCNLRZHMJD-UHFFFAOYSA-N
MW1538.55 g/mol
LogP18.93
Rot. Bonds13

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

5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide (PubChem CID 159506780) has the molecular formula C85H68F9N13O6 and a molecular weight of 1538.55 g/mol. Its IUPAC name is 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
PubChem CID159506780
Molecular FormulaC85H68F9N13O6
Molecular Weight1538.55 g/mol
Exact Mass1537.53
IUPAC Name5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCC1(C)C(=O)N(c2ncccn2)c2cccc(-c3ccc(C(F)(F)F)c(C(=O)Nc4cccnc4)c3)c21.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4Cc3ncccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cnc[nH]3)ccc2C(F)(F)F)cc1
InChIInChI=1S/C30H25F3N4O2.C28H23F3N4O2.C27H20F3N5O2/c1-18-8-11-20(12-9-18)36-27(38)22-16-19(10-13-23(22)30(31,32)33)21-6-4-7-24-26(21)29(2,3)28(39)37(24)17-25-34-14-5-15-35-25;1-16-7-10-18(11-8-16)34-25(36)20-13-17(9-12-21(20)28(29,30)31)19-5-4-6-22-24(19)27(2,3)26(37)35(22)23-14-32-15-33-23;1-26(2)22-18(7-3-8-21(22)35(24(26)37)25-32-12-5-13-33-25)16-9-10-20(27(28,29)30)19(14-16)23(36)34-17-6-4-11-31-15-17/h4-16H,17H2,1-3H3,(H,36,38);4-15H,1-3H3,(H,32,33)(H,34,36);3-15H,1-2H3,(H,34,36)
InChIKeyMABYLCNLRZHMJD-UHFFFAOYSA-N
XLogP18.93
TPSA241.36 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds13
Heavy Atoms113
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001538.55
LogP ≤ 518.93
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

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

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Related Compounds

4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide
CID 71460802
US11203591, Example 74
CID 146763317
US11203591, Example 21B
CID 147224685
US11203591, Example 21A
CID 147224686
US11203591, Example 56
CID 147470122
US11203591, Example 105
CID 147775904
US11203591, Example 105B
CID 147775905
US11203591, Example 105A
CID 147775906
US11203591, Example 91
CID 148340992
US11203591, Example 54
CID 148476915
US11203591, Example 60
CID 148482280
US11203591, Example 76
CID 148851829

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide (CID 159506780) is 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide is CC1(C)C(=O)N(c2ncccn2)c2cccc(-c3ccc(C(F)(F)F)c(C(=O)Nc4cccnc4)c3)c21.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4Cc3ncccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cnc[nH]3)ccc2C(F)(F)F)cc1.
What is the InChIKey of 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is MABYLCNLRZHMJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F3N4O2.C28H23F3N4O2.C27H20F3N5O2/c1-18-8-11-20(12-9-18)36-27(38)22-16-19(10-13-23(22)30(31,32)33)21-6-4-7-24-26(21)29(2,3)28(39)37(24)17-25-34-14-5-15-35-25;1-16-7-10-18(11-8-16)34-25(36)20-13-17(9-12-21(20)28(29,30)31)19-5-4-6-22-24(19)27(2,3)26(37)35(22)23-14-32-15-33-23;1-26(2)22-18(7-3-8-21(22)35(24(26)37)25-32-12-5-13-33-25)16-9-10-20(27(28,29)30)19(14-16)23(36)34-17-6-4-11-31-15-17/h4-16H,17H2,1-3H3,(H,36,38);4-15H,1-3H3,(H,32,33)(H,34,36);3-15H,1-2H3,(H,34,36).
What are the key properties of 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 1538.55 g/mol, XLogP of 18.93, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(pyrimidin-2-ylmethyl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 159506780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).