2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-phenylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide

C53H40F3N7O3 — CID 161265489

IUPAC2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-phenylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccccc5)ncc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ncco5)ncc34)ccc2C)cc1
InChIInChI=1S/C28H20F3N3O.C25H20N4O2/c1-18-9-12-21(13-10-18)33-27(35)23-16-20(11-14-24(23)28(29,30)31)22-8-5-15-34-25(22)17-32-26(34)19-6-3-2-4-7-19;1-16-5-9-19(10-6-16)28-24(30)21-14-18(8-7-17(21)2)20-4-3-12-29-22(20)15-27-23(29)25-26-11-13-31-25/h2-17H,1H3,(H,33,35);3-15H,1-2H3,(H,28,30)
InChIKeyVDCUTYOKDZMWFQ-UHFFFAOYSA-N
MW879.94 g/mol
LogP12.77
Rot. Bonds8

About 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-phenylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide

2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-phenylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide (PubChem CID 161265489) has the molecular formula C53H40F3N7O3 and a molecular weight of 879.94 g/mol. Its IUPAC name is 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-phenylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-phenylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
PubChem CID161265489
Molecular FormulaC53H40F3N7O3
Molecular Weight879.94 g/mol
Exact Mass879.31
IUPAC Name2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-phenylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccccc5)ncc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ncco5)ncc34)ccc2C)cc1
InChIInChI=1S/C28H20F3N3O.C25H20N4O2/c1-18-9-12-21(13-10-18)33-27(35)23-16-20(11-14-24(23)28(29,30)31)22-8-5-15-34-25(22)17-32-26(34)19-6-3-2-4-7-19;1-16-5-9-19(10-6-16)28-24(30)21-14-18(8-7-17(21)2)20-4-3-12-29-22(20)15-27-23(29)25-26-11-13-31-25/h2-17H,1H3,(H,33,35);3-15H,1-2H3,(H,28,30)
InChIKeyVDCUTYOKDZMWFQ-UHFFFAOYSA-N
XLogP12.77
TPSA118.83 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms66
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.94
LogP ≤ 512.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-phenylimidazo[1,5-a]pyridin-8-yl)-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

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-phenylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-phenylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide (CID 161265489) is 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-phenylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-phenylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-phenylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ccccc5)ncc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5ncco5)ncc34)ccc2C)cc1.
What is the InChIKey of 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-phenylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is VDCUTYOKDZMWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F3N3O.C25H20N4O2/c1-18-9-12-21(13-10-18)33-27(35)23-16-20(11-14-24(23)28(29,30)31)22-8-5-15-34-25(22)17-32-26(34)19-6-3-2-4-7-19;1-16-5-9-19(10-6-16)28-24(30)21-14-18(8-7-17(21)2)20-4-3-12-29-22(20)15-27-23(29)25-26-11-13-31-25/h2-17H,1H3,(H,33,35);3-15H,1-2H3,(H,28,30).
What are the key properties of 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-phenylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide?
2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-phenylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 879.94 g/mol, XLogP of 12.77, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(4-methylphenyl)-5-[3-(1,3-oxazol-2-yl)imidazo[1,5-a]pyridin-8-yl]benzamide;N-(4-methylphenyl)-5-(3-phenylimidazo[1,5-a]pyridin-8-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 161265489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).