5-[3-chloro-1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide)

C84H53ClF15N9O3 — CID 158296596

About 5-[3-chloro-1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide)

5-[3-chloro-1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide) (PubChem CID 158296596) has the molecular formula C84H53ClF15N9O3 and a molecular weight of 1556.83 g/mol. Its IUPAC name is 5-[3-chloro-1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide).

Molecular Properties

• Compound Name: 5-[3-chloro-1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide)
• PubChem CID: 158296596
• Molecular Formula: C84H53ClF15N9O3
• Molecular Weight: 1556.83 g/mol
• Exact Mass: 1555.37
• IUPAC Name: 5-[3-chloro-1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide)
• SMILES: Cc1ccc(NC(=O)c2cc(-c3cccc4c(-c5cccc(F)c5F)nc(Cl)n34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)cnc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)cnc34)ccc2C(F)(F)F)cc1
• InChI: InChI=1S/C28H17ClF5N3O.2C28H18F5N3O/c1-15-8-11-17(12-9-15)35-26(38)19-14-16(10-13-20(19)28(32,33)34)22-6-3-7-23-25(36-27(29)37(22)23)18-4-2-5-21(30)24(18)31;2*1-16-7-10-18(11-8-16)35-27(37)21-14-17(9-12-22(21)28(31,32)33)19-5-3-13-36-24(15-34-26(19)36)20-4-2-6-23(29)25(20)30/h2-14H,1H3,(H,35,38);2*2-15H,1H3,(H,35,37)
• InChIKey: GLZJCNBTQBNTMG-UHFFFAOYSA-N
• XLogP: 23.23
• TPSA: 139.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1556.83
LogP ≤ 5	23.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide)?

The IUPAC name of 5-[3-chloro-1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide) (CID 158296596) is 5-[3-chloro-1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide).

What is the SMILES notation for 5-[3-chloro-1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide)?

The canonical SMILES for 5-[3-chloro-1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide) is Cc1ccc(NC(=O)c2cc(-c3cccc4c(-c5cccc(F)c5F)nc(Cl)n34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)cnc34)ccc2C(F)(F)F)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)cnc34)ccc2C(F)(F)F)cc1.

What is the InChIKey of 5-[3-chloro-1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide)?

The InChIKey is GLZJCNBTQBNTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17ClF5N3O.2C28H18F5N3O/c1-15-8-11-17(12-9-15)35-26(38)19-14-16(10-13-20(19)28(32,33)34)22-6-3-7-23-25(36-27(29)37(22)23)18-4-2-5-21(30)24(18)31;2*1-16-7-10-18(11-8-16)35-27(37)21-14-17(9-12-22(21)28(31,32)33)19-5-3-13-36-24(15-34-26(19)36)20-4-2-6-23(29)25(20)30/h2-14H,1H3,(H,35,38);2*2-15H,1H3,(H,35,37).

What are the key properties of 5-[3-chloro-1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide)?

5-[3-chloro-1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide) has a molecular weight of 1556.83 g/mol, XLogP of 23.23, 12 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-chloro-1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;bis(5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide) is sourced from PubChem (CID 158296596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).