5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide

C84H66F10N14O6 — CID 159203476

IUPAC5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cnc[nH]3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3ccnc4c3C(C)(C)C(=O)N4c3ccccn3)cnc2C(F)(F)F)cc1F.Cc1ccc(NC(=O)c2nc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1
InChIInChI=1S/C28H21F4N5O2.C28H22F3N5O2.C28H23F3N4O2/c1-15-7-8-17(13-20(15)29)36-25(38)19-12-16(14-35-23(19)28(30,31)32)18-9-11-34-24-22(18)27(2,3)26(39)37(24)21-6-4-5-10-33-21;1-16-8-10-17(11-9-16)34-24(37)23-19(28(29,30)31)12-13-20(35-23)18-6-4-7-21-22(18)27(2,3)25(38)36(21)26-32-14-5-15-33-26;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/h4-14H,1-3H3,(H,36,38);4-15H,1-3H3,(H,34,37);4-15H,1-3H3,(H,32,33)(H,34,36)
InChIKeyKPOVUSZYDPSQNE-UHFFFAOYSA-N
MW1557.52 g/mol
LogP18.90
Rot. Bonds12

About 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;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-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide (PubChem CID 159203476) has the molecular formula C84H66F10N14O6 and a molecular weight of 1557.52 g/mol. Its IUPAC name is 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;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-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
PubChem CID159203476
Molecular FormulaC84H66F10N14O6
Molecular Weight1557.52 g/mol
Exact Mass1556.51
IUPAC Name5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cnc[nH]3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3ccnc4c3C(C)(C)C(=O)N4c3ccccn3)cnc2C(F)(F)F)cc1F.Cc1ccc(NC(=O)c2nc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1
InChIInChI=1S/C28H21F4N5O2.C28H22F3N5O2.C28H23F3N4O2/c1-15-7-8-17(13-20(15)29)36-25(38)19-12-16(14-35-23(19)28(30,31)32)18-9-11-34-24-22(18)27(2,3)26(39)37(24)21-6-4-5-10-33-21;1-16-8-10-17(11-9-16)34-24(37)23-19(28(29,30)31)12-13-20(35-23)18-6-4-7-21-22(18)27(2,3)25(38)36(21)26-32-14-5-15-33-26;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/h4-14H,1-3H3,(H,36,38);4-15H,1-3H3,(H,34,37);4-15H,1-3H3,(H,32,33)(H,34,36)
InChIKeyKPOVUSZYDPSQNE-UHFFFAOYSA-N
XLogP18.90
TPSA254.25 Ų
H-Bond Donors4
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms114
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001557.52
LogP ≤ 518.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1013

Analyze 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide 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

(3R)-N-[3-[5-[2-[2-[[1-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]piperidin-4-yl]methyl]-2,7-diazaspiro[3.4]octan-7-yl]pyrimidin-5-yl]-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]-2,4-difluorophenyl]-3-fluoropyrrolidine-1-sulfonamide
CID 167399082
4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]azetidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177641720
4-[2-[4-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]piperazin-1-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177641827
4-[2-[4-[1-[3-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]propanoyl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177642087
4-[2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperazin-1-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177643833
4-[2-[4-[4-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidin-4-yl]methyl]piperazin-1-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177644019
4-[2-[4-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177644335
4-[2-[4-[1-[[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]azetidin-3-yl]piperidin-4-yl]methyl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177644627
4-[2-[4-[1-[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]piperidine-4-carbonyl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177644647
4-[2-[4-[4-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]piperazin-1-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177644983
4-[2-[4-[1-[[1-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]pyrrolidin-3-yl]methyl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177645056
4-[2-[4-[1-[1-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]acetyl]azetidin-3-yl]piperidin-4-yl]phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]-N,N,2-trimethylbenzamide
CID 177645078

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;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-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide (CID 159203476) is 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;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-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;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-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3cnc[nH]3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3ccnc4c3C(C)(C)C(=O)N4c3ccccn3)cnc2C(F)(F)F)cc1F.Cc1ccc(NC(=O)c2nc(-c3cccc4c3C(C)(C)C(=O)N4c3ncccn3)ccc2C(F)(F)F)cc1.
What is the InChIKey of 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is KPOVUSZYDPSQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F4N5O2.C28H22F3N5O2.C28H23F3N4O2/c1-15-7-8-17(13-20(15)29)36-25(38)19-12-16(14-35-23(19)28(30,31)32)18-9-11-34-24-22(18)27(2,3)26(39)37(24)21-6-4-5-10-33-21;1-16-8-10-17(11-9-16)34-24(37)23-19(28(29,30)31)12-13-20(35-23)18-6-4-7-21-22(18)27(2,3)25(38)36(21)26-32-14-5-15-33-26;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/h4-14H,1-3H3,(H,36,38);4-15H,1-3H3,(H,34,37);4-15H,1-3H3,(H,32,33)(H,34,36).
What are the key properties of 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;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-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 1557.52 g/mol, XLogP of 18.90, 12 rotatable bonds, 4 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylpyrrolo[2,3-b]pyridin-4-yl)-N-(3-fluoro-4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;6-(3,3-dimethyl-2-oxo-1-pyrimidin-2-ylindol-4-yl)-N-(4-methylphenyl)-3-(trifluoromethyl)pyridine-2-carboxamide;5-[1-(1H-imidazol-5-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 159203476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).