6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide

C20H22ClFN6O3 — CID 118206557

About 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide

6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide (PubChem CID 118206557) has the molecular formula C20H22ClFN6O3 and a molecular weight of 448.89 g/mol. Its IUPAC name is 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide
• PubChem CID: 118206557
• Molecular Formula: C20H22ClFN6O3
• Molecular Weight: 448.89 g/mol
• Exact Mass: 448.14
• IUPAC Name: 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide
• SMILES: CC(C)(O)C(F)CNC(=O)c1cnc(-n2cnc3cc(Cl)cnc32)cc1NC1COC1
• InChI: InChI=1S/C20H22ClFN6O3/c1-20(2,30)16(22)7-25-19(29)13-6-23-17(4-14(13)27-12-8-31-9-12)28-10-26-15-3-11(21)5-24-18(15)28/h3-6,10,12,16,30H,7-9H2,1-2H3,(H,23,27)(H,25,29)
• InChIKey: MVWHQECEJRYEAB-UHFFFAOYSA-N
• XLogP: 2.12
• TPSA: 114.19 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.89
LogP ≤ 5	2.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide?

The IUPAC name of 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide (CID 118206557) is 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide.

What is the SMILES notation for 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide?

The canonical SMILES for 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide is CC(C)(O)C(F)CNC(=O)c1cnc(-n2cnc3cc(Cl)cnc32)cc1NC1COC1.

What is the InChIKey of 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide?

The InChIKey is MVWHQECEJRYEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN6O3/c1-20(2,30)16(22)7-25-19(29)13-6-23-17(4-14(13)27-12-8-31-9-12)28-10-26-15-3-11(21)5-24-18(15)28/h3-6,10,12,16,30H,7-9H2,1-2H3,(H,23,27)(H,25,29).

What are the key properties of 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide?

6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide has a molecular weight of 448.89 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-(oxetan-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118206557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).