2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridine-6-carboxamide

C23H17Cl2F6N5O2 — CID 162546262

About 2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridine-6-carboxamide

2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 162546262) has the molecular formula C23H17Cl2F6N5O2 and a molecular weight of 580.32 g/mol. Its IUPAC name is 2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 162546262
• Molecular Formula: C23H17Cl2F6N5O2
• Molecular Weight: 580.32 g/mol
• Exact Mass: 579.07
• IUPAC Name: 2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: O=C(NCc1ccccc1C(F)(F)F)c1cc2c(nc1OCC(F)F)NC(Nc1c(Cl)cc(F)cc1Cl)N2
• InChI: InChI=1S/C23H17Cl2F6N5O2/c24-14-5-11(26)6-15(25)18(14)34-22-33-16-7-12(21(35-19(16)36-22)38-9-17(27)28)20(37)32-8-10-3-1-2-4-13(10)23(29,30)31/h1-7,17,22,33-34H,8-9H2,(H,32,37)(H,35,36)
• InChIKey: NILMXPQRWRISPN-UHFFFAOYSA-N
• XLogP: 6.35
• TPSA: 87.31 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.32
LogP ≤ 5	6.35
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of 2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 162546262) is 2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for 2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridine-6-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1cc2c(nc1OCC(F)F)NC(Nc1c(Cl)cc(F)cc1Cl)N2.

What is the InChIKey of 2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is NILMXPQRWRISPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2F6N5O2/c24-14-5-11(26)6-15(25)18(14)34-22-33-16-7-12(21(35-19(16)36-22)38-9-17(27)28)20(37)32-8-10-3-1-2-4-13(10)23(29,30)31/h1-7,17,22,33-34H,8-9H2,(H,32,37)(H,35,36).

What are the key properties of 2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridine-6-carboxamide?

2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 580.32 g/mol, XLogP of 6.35, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-dichloro-4-fluoroanilino)-5-(2,2-difluoroethoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 162546262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).