2-[(2-chloro-4,6-dimethyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide

C23H27ClF2N6O2 — CID 88573739

About 2-[(2-chloro-4,6-dimethyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide

2-[(2-chloro-4,6-dimethyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 88573739) has the molecular formula C23H27ClF2N6O2 and a molecular weight of 492.96 g/mol. Its IUPAC name is 2-[(2-chloro-4,6-dimethyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[(2-chloro-4,6-dimethyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 88573739
• Molecular Formula: C23H27ClF2N6O2
• Molecular Weight: 492.96 g/mol
• Exact Mass: 492.19
• IUPAC Name: 2-[(2-chloro-4,6-dimethyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: Cc1cc(C)c(Nc2nc3nc(OCC(F)F)c(C(=O)NC4CCC(C)CC4)cc3[nH]2)c(Cl)n1
• InChI: InChI=1S/C23H27ClF2N6O2/c1-11-4-6-14(7-5-11)28-21(33)15-9-16-20(31-22(15)34-10-17(25)26)32-23(29-16)30-18-12(2)8-13(3)27-19(18)24/h8-9,11,14,17H,4-7,10H2,1-3H3,(H,28,33)(H2,29,30,31,32)
• InChIKey: FBTHHRGKZVQJCC-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 104.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.96
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4,6-dimethyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of 2-[(2-chloro-4,6-dimethyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 88573739) is 2-[(2-chloro-4,6-dimethyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for 2-[(2-chloro-4,6-dimethyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 2-[(2-chloro-4,6-dimethyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide is Cc1cc(C)c(Nc2nc3nc(OCC(F)F)c(C(=O)NC4CCC(C)CC4)cc3[nH]2)c(Cl)n1.

What is the InChIKey of 2-[(2-chloro-4,6-dimethyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is FBTHHRGKZVQJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClF2N6O2/c1-11-4-6-14(7-5-11)28-21(33)15-9-16-20(31-22(15)34-10-17(25)26)32-23(29-16)30-18-12(2)8-13(3)27-19(18)24/h8-9,11,14,17H,4-7,10H2,1-3H3,(H,28,33)(H2,29,30,31,32).

What are the key properties of 2-[(2-chloro-4,6-dimethyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide?

2-[(2-chloro-4,6-dimethyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 492.96 g/mol, XLogP of 5.32, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chloro-4,6-dimethyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 88573739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).