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

C22H23F5N6O2 — CID 88573748

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

5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 88573748) has the molecular formula C22H23F5N6O2 and a molecular weight of 498.46 g/mol. Its IUPAC name is 5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: 5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide
• PubChem CID: 88573748
• Molecular Formula: C22H23F5N6O2
• Molecular Weight: 498.46 g/mol
• Exact Mass: 498.18
• IUPAC Name: 5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide
• SMILES: CC1CCC(NC(=O)c2cc3[nH]c(Nc4cnccc4C(F)(F)F)nc3nc2OCC(F)F)CC1
• InChI: InChI=1S/C22H23F5N6O2/c1-11-2-4-12(5-3-11)29-19(34)13-8-15-18(32-20(13)35-10-17(23)24)33-21(30-15)31-16-9-28-7-6-14(16)22(25,26)27/h6-9,11-12,17H,2-5,10H2,1H3,(H,29,34)(H2,30,31,32,33)
• InChIKey: AZYGRWAWOVILKN-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 104.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.46
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide (CID 88573748) is 5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide.

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

The canonical SMILES for 5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide is CC1CCC(NC(=O)c2cc3[nH]c(Nc4cnccc4C(F)(F)F)nc3nc2OCC(F)F)CC1.

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

The InChIKey is AZYGRWAWOVILKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F5N6O2/c1-11-2-4-12(5-3-11)29-19(34)13-8-15-18(32-20(13)35-10-17(23)24)33-21(30-15)31-16-9-28-7-6-14(16)22(25,26)27/h6-9,11-12,17H,2-5,10H2,1H3,(H,29,34)(H2,30,31,32,33).

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

5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 498.46 g/mol, XLogP of 5.07, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2,2-difluoroethoxy)-N-(4-methylcyclohexyl)-2-[[4-(trifluoromethyl)-3-pyridinyl]amino]-1H-imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 88573748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).