5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide

C89H71F9N10O7 — CID 158584640

IUPAC5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ccccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ccncn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3ccccn3)ccc2C(F)(F)F)cc1
InChIInChI=1S/C30H24F3N3O3.C30H24F3N3O2.C29H23F3N4O2/c1-18-10-13-20(14-11-18)35-27(37)22-17-19(12-15-23(22)30(31,32)33)21-7-6-8-24-26(21)39-29(2,3)28(38)36(24)25-9-4-5-16-34-25;1-18-10-13-20(14-11-18)35-27(37)22-17-19(12-15-23(22)30(31,32)33)21-7-6-8-24-26(21)29(2,3)28(38)36(24)25-9-4-5-16-34-25;1-17-7-10-19(11-8-17)35-26(37)21-15-18(9-12-22(21)29(30,31)32)20-5-4-6-23-25(20)28(2,3)27(38)36(23)24-13-14-33-16-34-24/h4-17H,1-3H3,(H,35,37);4-17H,1-3H3,(H,35,37);4-16H,1-3H3,(H,35,37)
InChIKeyHTRGLTYCYWTBPD-UHFFFAOYSA-N
MW1563.59 g/mol
LogP21.13
Rot. Bonds12

About 5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide

5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide (PubChem CID 158584640) has the molecular formula C89H71F9N10O7 and a molecular weight of 1563.59 g/mol. Its IUPAC name is 5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
PubChem CID158584640
Molecular FormulaC89H71F9N10O7
Molecular Weight1563.59 g/mol
Exact Mass1562.54
IUPAC Name5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ccccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ccncn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3ccccn3)ccc2C(F)(F)F)cc1
InChIInChI=1S/C30H24F3N3O3.C30H24F3N3O2.C29H23F3N4O2/c1-18-10-13-20(14-11-18)35-27(37)22-17-19(12-15-23(22)30(31,32)33)21-7-6-8-24-26(21)39-29(2,3)28(38)36(24)25-9-4-5-16-34-25;1-18-10-13-20(14-11-18)35-27(37)22-17-19(12-15-23(22)30(31,32)33)21-7-6-8-24-26(21)29(2,3)28(38)36(24)25-9-4-5-16-34-25;1-17-7-10-19(11-8-17)35-26(37)21-15-18(9-12-22(21)29(30,31)32)20-5-4-6-23-25(20)28(2,3)27(38)36(23)24-13-14-33-16-34-24/h4-17H,1-3H3,(H,35,37);4-17H,1-3H3,(H,35,37);4-16H,1-3H3,(H,35,37)
InChIKeyHTRGLTYCYWTBPD-UHFFFAOYSA-N
XLogP21.13
TPSA209.02 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds12
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001563.59
LogP ≤ 521.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-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

3-[[5-fluoro-4-[(2-methylidene-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]pyrimidin-2-yl]amino]-4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 68342364
3-[[4-[(2,2-dimethyl-3-oxo-4H-pyrido[3,2-b][1,4]oxazin-6-yl)amino]-5-fluoropyrimidin-2-yl]amino]-4-methyl-N-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)phenyl]benzamide
CID 126514102
5-(2,2-dimethyl-3-oxo-4-pyrimidin-2-yl-1,4-benzoxazin-8-yl)-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 146306770
5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 146306794
5-(2,2-dimethyl-4-pyrimidin-2-yl-3H-1,4-benzoxazin-8-yl)-N-(4-fluorophenyl)-2-(trifluoromethyl)benzamide
CID 146323874
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-4-yl-2-(trifluoromethyl)benzamide
CID 157121939
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
5-(2,2-dimethyl-3-oxo-4-pyrazin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-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;methane
CID 158151369
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
5-(3,3-dimethyl-2-oxo-1-pyrazin-2-ylindol-4-yl)-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;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
CID 158854668
N,3-dimethyl-4-[[4-[(2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;N-[1-(2-methoxyethyl)piperidin-4-yl]-3-methyl-4-[[4-[(2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide;3-methoxy-N-methyl-4-[[4-[(2-methyl-3-oxo-1H-isoindol-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide
CID 159104918
N-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxyphenyl]-2-phenoxyacetamide;N-[4-[4-amino-7-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-methoxyphenyl]-4-(trifluoromethyl)benzamide
CID 159280066

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide (CID 158584640) is 5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ccccn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3C(C)(C)C(=O)N4c3ccncn3)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccc4c3OC(C)(C)C(=O)N4c3ccccn3)ccc2C(F)(F)F)cc1.
What is the InChIKey of 5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is HTRGLTYCYWTBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F3N3O3.C30H24F3N3O2.C29H23F3N4O2/c1-18-10-13-20(14-11-18)35-27(37)22-17-19(12-15-23(22)30(31,32)33)21-7-6-8-24-26(21)39-29(2,3)28(38)36(24)25-9-4-5-16-34-25;1-18-10-13-20(14-11-18)35-27(37)22-17-19(12-15-23(22)30(31,32)33)21-7-6-8-24-26(21)29(2,3)28(38)36(24)25-9-4-5-16-34-25;1-17-7-10-19(11-8-17)35-26(37)21-15-18(9-12-22(21)29(30,31)32)20-5-4-6-23-25(20)28(2,3)27(38)36(23)24-13-14-33-16-34-24/h4-17H,1-3H3,(H,35,37);4-17H,1-3H3,(H,35,37);4-16H,1-3H3,(H,35,37).
What are the key properties of 5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 1563.59 g/mol, XLogP of 21.13, 12 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-3-oxo-4-pyridin-2-yl-1,4-benzoxazin-8-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyridin-2-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-(3,3-dimethyl-2-oxo-1-pyrimidin-4-ylindol-4-yl)-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 158584640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).