5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyrimidin-2-yl-1,3-benzoxazol-7-yl)benzamide

C82H66F6N12O7 — CID 157115946

IUPAC5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyrimidin-2-yl-1,3-benzoxazol-7-yl)benzamide
SMILESCc1ccc(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)N4c3ncc[nH]3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3oc(=O)n4-c3ncccn3)ccc2C)cc1
InChIInChI=1S/2C28H23F3N4O2.C26H20N4O3/c1-16-7-10-18(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)34-24(36)20-15-17(9-12-21(20)28(29,30)31)19-5-4-6-22-23(19)27(2,3)25(37)35(22)26-32-13-14-33-26;1-16-7-11-19(12-8-16)29-24(31)21-15-18(10-9-17(21)2)20-5-3-6-22-23(20)33-26(32)30(22)25-27-13-4-14-28-25/h2*4-15H,1-3H3,(H,32,33)(H,34,36);3-15H,1-2H3,(H,29,31)
InChIKeyAHKFOGSDAPCGCE-UHFFFAOYSA-N
MW1445.49 g/mol
LogP18.13
Rot. Bonds12

About 5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyrimidin-2-yl-1,3-benzoxazol-7-yl)benzamide

5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyrimidin-2-yl-1,3-benzoxazol-7-yl)benzamide (PubChem CID 157115946) has the molecular formula C82H66F6N12O7 and a molecular weight of 1445.49 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-[1-(1H-imidazol-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyrimidin-2-yl-1,3-benzoxazol-7-yl)benzamide.

Molecular Properties

Compound Name5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyrimidin-2-yl-1,3-benzoxazol-7-yl)benzamide
PubChem CID157115946
Molecular FormulaC82H66F6N12O7
Molecular Weight1445.49 g/mol
Exact Mass1444.51
IUPAC Name5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyrimidin-2-yl-1,3-benzoxazol-7-yl)benzamide
SMILESCc1ccc(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)N4c3ncc[nH]3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3oc(=O)n4-c3ncccn3)ccc2C)cc1
InChIInChI=1S/2C28H23F3N4O2.C26H20N4O3/c1-16-7-10-18(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)34-24(36)20-15-17(9-12-21(20)28(29,30)31)19-5-4-6-22-23(19)27(2,3)25(37)35(22)26-32-13-14-33-26;1-16-7-11-19(12-8-16)29-24(31)21-15-18(10-9-17(21)2)20-5-3-6-22-23(20)33-26(32)30(22)25-27-13-4-14-28-25/h2*4-15H,1-3H3,(H,32,33)(H,34,36);3-15H,1-2H3,(H,29,31)
InChIKeyAHKFOGSDAPCGCE-UHFFFAOYSA-N
XLogP18.13
TPSA246.20 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms107
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001445.49
LogP ≤ 518.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze 5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyrimidin-2-yl-1,3-benzoxazol-7-yl)benzamide with MolForge

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Related Compounds

3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide
CID 157453461
5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide
CID 157457960
3-[2-[4-(aminomethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;tert-butyl N-[[4-[2-[2-pyrazol-1-yl-5-[3-(1H-pyrazol-4-yl)propylcarbamoyl]phenyl]ethynyl]phenyl]methyl]carbamate;3-[2-(3-cyanophenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-[3-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;3-[2-[3-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-[3-(methylcarbamoyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 157677333
N-[3-[[2-(dimethylamino)ethyl-methylamino]methyl]-2-methoxy-5-(trifluoromethoxy)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-(3,3-dimethylbutyl)-2-methoxy-5-(trifluoromethoxy)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethoxy)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[2-methoxy-3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethoxy)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethoxy)phenyl]benzamide;4-methyl-3-(4-pyrimidin-5-yltriazol-1-yl)-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 157691584
3-[2-[3-(1,1-difluoroethyl)phenyl]ethynyl]-N-(3-imidazol-1-ylpropyl)-4-pyrazol-1-ylbenzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 157730782
5-[3-(2,3-difluorophenyl)-2-oxo-1,3-benzoxazol-7-yl]-2-methyl-N-(4-methylphenyl)benzamide;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-pyridin-3-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 158237162
1,5-di(propan-2-yl)benzotriazole;2-fluoro-4-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-triazole;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 158433120
3-[4-(6-acetamido-3-pyridinyl)triazol-1-yl]-N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methylbenzamide;N-[2-methoxy-3-[[2-methoxyethyl(methyl)amino]methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[2-methoxy-3-(3-methylbutyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;N-[2-methoxy-3-[(4-methylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methyl-3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)triazol-1-yl]benzamide;4-methyl-3-[4-[5-(4-methylpiperazin-1-yl)-3-pyridinyl]triazol-1-yl]-N-[3-(pyrrolidin-1-ylmethyl)-5-(trifluoromethyl)phenyl]benzamide
CID 159391843
3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyridin-3-ylindol-4-yl)-N-(5-methyl-2-pyridinyl)-2-(trifluoromethyl)pyridine-3-carboxamide;methane;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide
CID 159678317
3-[2-[4-(1,1-difluoroethyl)phenyl]ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;N-(3-imidazol-1-ylpropyl)-3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-ylbenzamide;3-[2-(2-methoxyphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(2-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide;3-[2-(3-methylphenyl)ethynyl]-4-pyrazol-1-yl-N-[3-(1H-pyrazol-4-yl)propyl]benzamide
CID 159683502
3,3-dimethyl-4-[3-(6-methyl-1H-benzimidazol-2-yl)-4-(trifluoromethyl)phenyl]-1-pyridin-3-ylindol-2-one;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyridin-3-yl-1,3-benzoxazol-7-yl)benzamide;N-(4-methylphenyl)-5-(2'-oxo-1'-pyrimidin-2-ylspiro[cyclobutane-1,3'-indole]-4'-yl)-2-(trifluoromethyl)benzamide
CID 160305683
5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethoxy)benzamide;2-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-5-(trifluoromethyl)pyridine-4-carboxamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-pyridin-3-yl-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
CID 161111152

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-[1-(1H-imidazol-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyrimidin-2-yl-1,3-benzoxazol-7-yl)benzamide?
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-[1-(1H-imidazol-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyrimidin-2-yl-1,3-benzoxazol-7-yl)benzamide (CID 157115946) is 5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyrimidin-2-yl-1,3-benzoxazol-7-yl)benzamide.
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-[1-(1H-imidazol-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyrimidin-2-yl-1,3-benzoxazol-7-yl)benzamide?
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-[1-(1H-imidazol-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyrimidin-2-yl-1,3-benzoxazol-7-yl)benzamide is 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)N4c3ncc[nH]3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3oc(=O)n4-c3ncccn3)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-[1-(1H-imidazol-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyrimidin-2-yl-1,3-benzoxazol-7-yl)benzamide?
The InChIKey is AHKFOGSDAPCGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H23F3N4O2.C26H20N4O3/c1-16-7-10-18(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)34-24(36)20-15-17(9-12-21(20)28(29,30)31)19-5-4-6-22-23(19)27(2,3)25(37)35(22)26-32-13-14-33-26;1-16-7-11-19(12-8-16)29-24(31)21-15-18(10-9-17(21)2)20-5-3-6-22-23(20)33-26(32)30(22)25-27-13-4-14-28-25/h2*4-15H,1-3H3,(H,32,33)(H,34,36);3-15H,1-2H3,(H,29,31).
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-[1-(1H-imidazol-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyrimidin-2-yl-1,3-benzoxazol-7-yl)benzamide?
5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyrimidin-2-yl-1,3-benzoxazol-7-yl)benzamide has a molecular weight of 1445.49 g/mol, XLogP of 18.13, 12 rotatable bonds, 5 hydrogen bond donors, and 12 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-[1-(1H-imidazol-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyrimidin-2-yl-1,3-benzoxazol-7-yl)benzamide is sourced from PubChem (CID 157115946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).