2-(2,6-dichloro-3-methylanilino)-5-(4-fluoropiperidin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

C26H28Cl2F4N6O — CID 88538418

About 2-(2,6-dichloro-3-methylanilino)-5-(4-fluoropiperidin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide

2-(2,6-dichloro-3-methylanilino)-5-(4-fluoropiperidin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 88538418) has the molecular formula C26H28Cl2F4N6O and a molecular weight of 587.45 g/mol. Its IUPAC name is 2-(2,6-dichloro-3-methylanilino)-5-(4-fluoropiperidin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-(2,6-dichloro-3-methylanilino)-5-(4-fluoropiperidin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 88538418
• Molecular Formula: C26H28Cl2F4N6O
• Molecular Weight: 587.45 g/mol
• Exact Mass: 586.16
• IUPAC Name: 2-(2,6-dichloro-3-methylanilino)-5-(4-fluoropiperidin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: Cc1ccc(Cl)c(Nc2nc3nc(N4CCC(F)CC4)c(C(=O)NC4CCC(C(F)(F)F)CC4)cc3[nH]2)c1Cl
• InChI: InChI=1S/C26H28Cl2F4N6O/c1-13-2-7-18(27)21(20(13)28)35-25-34-19-12-17(23(36-22(19)37-25)38-10-8-15(29)9-11-38)24(39)33-16-5-3-14(4-6-16)26(30,31)32/h2,7,12,14-16H,3-6,8-11H2,1H3,(H,33,39)(H2,34,35,36,37)
• InChIKey: VWPAQIOHLZIQAY-UHFFFAOYSA-N
• XLogP: 7.11
• TPSA: 85.94 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	587.45
LogP ≤ 5	7.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-3-methylanilino)-5-(4-fluoropiperidin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of 2-(2,6-dichloro-3-methylanilino)-5-(4-fluoropiperidin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 88538418) is 2-(2,6-dichloro-3-methylanilino)-5-(4-fluoropiperidin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for 2-(2,6-dichloro-3-methylanilino)-5-(4-fluoropiperidin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 2-(2,6-dichloro-3-methylanilino)-5-(4-fluoropiperidin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is Cc1ccc(Cl)c(Nc2nc3nc(N4CCC(F)CC4)c(C(=O)NC4CCC(C(F)(F)F)CC4)cc3[nH]2)c1Cl.

What is the InChIKey of 2-(2,6-dichloro-3-methylanilino)-5-(4-fluoropiperidin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is VWPAQIOHLZIQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2F4N6O/c1-13-2-7-18(27)21(20(13)28)35-25-34-19-12-17(23(36-22(19)37-25)38-10-8-15(29)9-11-38)24(39)33-16-5-3-14(4-6-16)26(30,31)32/h2,7,12,14-16H,3-6,8-11H2,1H3,(H,33,39)(H2,34,35,36,37).

What are the key properties of 2-(2,6-dichloro-3-methylanilino)-5-(4-fluoropiperidin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide?

2-(2,6-dichloro-3-methylanilino)-5-(4-fluoropiperidin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 587.45 g/mol, XLogP of 7.11, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dichloro-3-methylanilino)-5-(4-fluoropiperidin-1-yl)-N-[4-(trifluoromethyl)cyclohexyl]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 88538418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).