2-[(2-chloro-4-methyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide

C23H24ClF5N6O2 — CID 45136948

About 2-[(2-chloro-4-methyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide

2-[(2-chloro-4-methyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 45136948) has the molecular formula C23H24ClF5N6O2 and a molecular weight of 546.93 g/mol. Its IUPAC name is 2-[(2-chloro-4-methyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 2-[(2-chloro-4-methyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 45136948
• Molecular Formula: C23H24ClF5N6O2
• Molecular Weight: 546.93 g/mol
• Exact Mass: 546.16
• IUPAC Name: 2-[(2-chloro-4-methyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: Cc1ccnc(Cl)c1Nc1nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc2n1C
• InChI: InChI=1S/C23H24ClF5N6O2/c1-11-7-8-30-18(24)17(11)33-22-32-15-9-14(21(37-10-16(25)26)34-19(15)35(22)2)20(36)31-13-5-3-12(4-6-13)23(27,28)29/h7-9,12-13,16H,3-6,10H2,1-2H3,(H,31,36)(H,32,33)
• InChIKey: IXBWTTQTRNQMHZ-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 93.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	546.93
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

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-methyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?

The IUPAC name of 2-[(2-chloro-4-methyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide (CID 45136948) is 2-[(2-chloro-4-methyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide.

What is the SMILES notation for 2-[(2-chloro-4-methyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?

The canonical SMILES for 2-[(2-chloro-4-methyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide is Cc1ccnc(Cl)c1Nc1nc2cc(C(=O)NC3CCC(C(F)(F)F)CC3)c(OCC(F)F)nc2n1C.

What is the InChIKey of 2-[(2-chloro-4-methyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?

The InChIKey is IXBWTTQTRNQMHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClF5N6O2/c1-11-7-8-30-18(24)17(11)33-22-32-15-9-14(21(37-10-16(25)26)34-19(15)35(22)2)20(36)31-13-5-3-12(4-6-13)23(27,28)29/h7-9,12-13,16H,3-6,10H2,1-2H3,(H,31,36)(H,32,33).

What are the key properties of 2-[(2-chloro-4-methyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide?

2-[(2-chloro-4-methyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 546.93 g/mol, XLogP of 5.56, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2-chloro-4-methyl-3-pyridinyl)amino]-5-(2,2-difluoroethoxy)-3-methyl-N-[4-(trifluoromethyl)cyclohexyl]imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 45136948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).