bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxylic acid);5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline

C74H49F12N11O7 — CID 158947957

About bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxylic acid);5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline

bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxylic acid);5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline (PubChem CID 158947957) has the molecular formula C74H49F12N11O7 and a molecular weight of 1432.25 g/mol. Its IUPAC name is bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxylic acid);5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline.

Molecular Properties

• Compound Name: bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxylic acid);5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline
• PubChem CID: 158947957
• Molecular Formula: C74H49F12N11O7
• Molecular Weight: 1432.25 g/mol
• Exact Mass: 1431.36
• IUPAC Name: bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxylic acid);5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline
• SMILES: Cc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1.Cc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)O.Cc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)O.Nc1ccc(OC(F)(F)F)cc1
• InChI: InChI=1S/C27H17F5N4O2.2C20H13F2N3O2.C7H6F3NO/c1-15-21(26(37)35-17-7-9-18(10-8-17)38-27(30,31)32)12-16(13-33-15)19-5-3-11-36-23(19)14-34-25(36)20-4-2-6-22(28)24(20)29;2*1-11-15(20(26)27)8-12(9-23-11)13-5-3-7-25-17(13)10-24-19(25)14-4-2-6-16(21)18(14)22;8-7(9,10)12-6-3-1-5(11)2-4-6/h2-14H,1H3,(H,35,37);2*2-10H,1H3,(H,26,27);1-4H,11H2
• InChIKey: JLBGSRQKABCSAV-UHFFFAOYSA-N
• XLogP: 17.66
• TPSA: 238.75 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1432.25
LogP ≤ 5	17.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxylic acid);5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline?

The IUPAC name of bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxylic acid);5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline (CID 158947957) is bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxylic acid);5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline.

What is the SMILES notation for bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxylic acid);5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline?

The canonical SMILES for bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxylic acid);5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline is Cc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)Nc1ccc(OC(F)(F)F)cc1.Cc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)O.Cc1ncc(-c2cccn3c(-c4cccc(F)c4F)ncc23)cc1C(=O)O.Nc1ccc(OC(F)(F)F)cc1.

What is the InChIKey of bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxylic acid);5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline?

The InChIKey is JLBGSRQKABCSAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17F5N4O2.2C20H13F2N3O2.C7H6F3NO/c1-15-21(26(37)35-17-7-9-18(10-8-17)38-27(30,31)32)12-16(13-33-15)19-5-3-11-36-23(19)14-34-25(36)20-4-2-6-22(28)24(20)29;2*1-11-15(20(26)27)8-12(9-23-11)13-5-3-7-25-17(13)10-24-19(25)14-4-2-6-16(21)18(14)22;8-7(9,10)12-6-3-1-5(11)2-4-6/h2-14H,1H3,(H,35,37);2*2-10H,1H3,(H,26,27);1-4H,11H2.

What are the key properties of bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxylic acid);5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline?

bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxylic acid);5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline has a molecular weight of 1432.25 g/mol, XLogP of 17.66, 12 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for bis(5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxylic acid);5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide;4-(trifluoromethoxy)aniline is sourced from PubChem (CID 158947957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).