5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide

C113H97F6N17O8 — CID 158258598

IUPAC5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ccn[nH]3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cn[nH]c3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C)cc1.Cc1ccc(NC(=O)c2nc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C)cc1
InChIInChI=1S/C29H26N4O2.2C28H23F3N4O2.C28H25N5O2/c1-18-9-13-21(14-10-18)32-26(34)23-17-20(12-11-19(23)2)22-7-5-8-24-25(22)29(3,4)27(35)33(24)28-30-15-6-16-31-28;1-16-7-10-18(11-8-16)34-25(36)21-13-17(9-12-22(21)28(29,30)31)20-5-4-6-23-24(20)27(2,3)26(37)35(23)19-14-32-33-15-19;1-16-7-10-18(11-8-16)33-25(36)20-15-17(9-12-21(20)28(29,30)31)19-5-4-6-22-24(19)27(2,3)26(37)35(22)23-13-14-32-34-23;1-17-9-12-19(13-10-17)31-25(34)24-18(2)11-14-21(32-24)20-7-5-8-22-23(20)28(3,4)26(35)33(22)27-29-15-6-16-30-27/h5-17H,1-4H3,(H,32,34);4-15H,1-3H3,(H,32,33)(H,34,36);4-15H,1-3H3,(H,32,34)(H,33,36);5-16H,1-4H3,(H,31,34)
InChIKeyGHPBHCDZTCFSAW-UHFFFAOYSA-N
MW1935.12 g/mol
LogP24.56
Rot. Bonds16

About 5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide

5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide (PubChem CID 158258598) has the molecular formula C113H97F6N17O8 and a molecular weight of 1935.12 g/mol. Its IUPAC name is 5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
PubChem CID158258598
Molecular FormulaC113H97F6N17O8
Molecular Weight1935.12 g/mol
Exact Mass1933.76
IUPAC Name5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ccn[nH]3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cn[nH]c3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C)cc1.Cc1ccc(NC(=O)c2nc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C)cc1
InChIInChI=1S/C29H26N4O2.2C28H23F3N4O2.C28H25N5O2/c1-18-9-13-21(14-10-18)32-26(34)23-17-20(12-11-19(23)2)22-7-5-8-24-25(22)29(3,4)27(35)33(24)28-30-15-6-16-31-28;1-16-7-10-18(11-8-16)34-25(36)21-13-17(9-12-22(21)28(29,30)31)20-5-4-6-23-24(20)27(2,3)26(37)35(23)19-14-32-33-15-19;1-16-7-10-18(11-8-16)33-25(36)20-15-17(9-12-21(20)28(29,30)31)19-5-4-6-22-24(19)27(2,3)26(37)35(22)23-13-14-32-34-23;1-17-9-12-19(13-10-17)31-25(34)24-18(2)11-14-21(32-24)20-7-5-8-22-23(20)28(3,4)26(35)33(22)27-29-15-6-16-30-27/h5-17H,1-4H3,(H,32,34);4-15H,1-3H3,(H,32,33)(H,34,36);4-15H,1-3H3,(H,32,34)(H,33,36);5-16H,1-4H3,(H,31,34)
InChIKeyGHPBHCDZTCFSAW-UHFFFAOYSA-N
XLogP24.56
TPSA319.45 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds16
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001935.12
LogP ≤ 524.56
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Analyze 5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 71451817
CID 71451817
4-methyl-3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]-N-[4-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]benzamide
CID 71453639
N-[4-[[4-(dimethylamino)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]benzamide
CID 71453675
4-methyl-N-[4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]benzamide
CID 71455406
4-ethyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]benzamide
CID 71457181
4-methyl-N-[4-(piperidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]-3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]benzamide
CID 71459004
PROTAC CDK2/9 Degrader-1
CID 145925673
N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-4-propan-2-yl-3-[4-(1H-pyrazolo[3,4-b]pyridin-5-yl)triazol-1-yl]benzamide
CID 71460846
N-[4-[[4-[4-[1-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]triazol-4-yl]butanoyl]piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzamide
CID 156013418
US11053253, Cmp No. T-256
CID 153306768
US11053253, Cmp No. T-257
CID 153306858
US11053253, Cmp No. T-255
CID 153306919

Frequently Asked Questions

What is the IUPAC name of 5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide (CID 158258598) is 5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ccn[nH]3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cn[nH]c3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C)cc1.Cc1ccc(NC(=O)c2nc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C)cc1.
What is the InChIKey of 5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide?
The InChIKey is GHPBHCDZTCFSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O2.2C28H23F3N4O2.C28H25N5O2/c1-18-9-13-21(14-10-18)32-26(34)23-17-20(12-11-19(23)2)22-7-5-8-24-25(22)29(3,4)27(35)33(24)28-30-15-6-16-31-28;1-16-7-10-18(11-8-16)34-25(36)21-13-17(9-12-22(21)28(29,30)31)20-5-4-6-23-24(20)27(2,3)26(37)35(23)19-14-32-33-15-19;1-16-7-10-18(11-8-16)33-25(36)20-15-17(9-12-21(20)28(29,30)31)19-5-4-6-22-24(19)27(2,3)26(37)35(22)23-13-14-32-34-23;1-17-9-12-19(13-10-17)31-25(34)24-18(2)11-14-21(32-24)20-7-5-8-22-23(20)28(3,4)26(35)33(22)27-29-15-6-16-30-27/h5-17H,1-4H3,(H,32,34);4-15H,1-3H3,(H,32,33)(H,34,36);4-15H,1-3H3,(H,32,34)(H,33,36);5-16H,1-4H3,(H,31,34).
What are the key properties of 5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide?
5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide has a molecular weight of 1935.12 g/mol, XLogP of 24.56, 16 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-5-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)benzamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-3-methyl-N-(4-methylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 158258598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).