5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
C83H60F9N11O4 — CID 160517791
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cc(-c3cccc4c(-c5cccc(F)c5F)ncn34)cnc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)c(CO)nc34)cnc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)cnc34)ccc2C(F)(F)F)cc1
InChIInChI=1S/C28H18F5N3O.C28H22F2N4O2.C27H20F2N4O/c1-16-7-10-18(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;1-16-8-10-19(11-9-16)32-28(36)22-13-18(14-31-17(22)2)20-6-4-12-34-26(24(15-35)33-27(20)34)21-5-3-7-23(29)25(21)30;1-16-9-11-19(12-10-16)32-27(34)21-13-18(14-30-17(21)2)23-7-4-8-24-26(31-15-33(23)24)20-5-3-6-22(28)25(20)29/h2-15H,1H3,(H,35,37);3-14,35H,15H2,1-2H3,(H,32,36);3-15H,1-2H3,(H,32,34)
InChIKeyQTWOTPZHUSWCKA-UHFFFAOYSA-N
MW1446.45 g/mol
LogP19.44
Rot. Bonds13
About 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide
5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide (PubChem CID 160517791) has the molecular formula C83H60F9N11O4 and a molecular weight of 1446.45 g/mol. Its IUPAC name is 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide.
Molecular Properties
| Compound Name | 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide |
|---|---|
| PubChem CID | 160517791 |
| Molecular Formula | C83H60F9N11O4 |
| Molecular Weight | 1446.45 g/mol |
| Exact Mass | 1445.47 |
| IUPAC Name | 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;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)ncn34)cnc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)c(CO)nc34)cnc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)cnc34)ccc2C(F)(F)F)cc1 |
| InChI | InChI=1S/C28H18F5N3O.C28H22F2N4O2.C27H20F2N4O/c1-16-7-10-18(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;1-16-8-10-19(11-9-16)32-28(36)22-13-18(14-31-17(22)2)20-6-4-12-34-26(24(15-35)33-27(20)34)21-5-3-7-23(29)25(21)30;1-16-9-11-19(12-10-16)32-27(34)21-13-18(14-30-17(21)2)23-7-4-8-24-26(31-15-33(23)24)20-5-3-6-22(28)25(20)29/h2-15H,1H3,(H,35,37);3-14,35H,15H2,1-2H3,(H,32,36);3-15H,1-2H3,(H,32,34) |
| InChIKey | QTWOTPZHUSWCKA-UHFFFAOYSA-N |
| XLogP | 19.44 |
| TPSA | 185.21 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 107 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1446.45 |
| LogP ≤ 5 | 19.44 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 12 |
Frequently Asked Questions
What is the IUPAC name of 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The IUPAC name of 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide (CID 160517791) is 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;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-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;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)ncn34)cnc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)c(CO)nc34)cnc2C)cc1.Cc1ccc(NC(=O)c2cc(-c3cccn4c(-c5cccc(F)c5F)cnc34)ccc2C(F)(F)F)cc1.
What is the InChIKey of 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
The InChIKey is QTWOTPZHUSWCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18F5N3O.C28H22F2N4O2.C27H20F2N4O/c1-16-7-10-18(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;1-16-8-10-19(11-9-16)32-28(36)22-13-18(14-31-17(22)2)20-6-4-12-34-26(24(15-35)33-27(20)34)21-5-3-7-23(29)25(21)30;1-16-9-11-19(12-10-16)32-27(34)21-13-18(14-30-17(21)2)23-7-4-8-24-26(31-15-33(23)24)20-5-3-6-22(28)25(20)29/h2-15H,1H3,(H,35,37);3-14,35H,15H2,1-2H3,(H,32,36);3-15H,1-2H3,(H,32,34).
What are the key properties of 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide?
5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide has a molecular weight of 1446.45 g/mol, XLogP of 19.44, 13 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,3-difluorophenyl)-2-(hydroxymethyl)imidazo[1,2-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[1-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-5-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,2-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 160517791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 160517791 — identifiers, structure, computed properties (public domain)
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