6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide

C21H22ClFN8O2 — CID 118206024

About 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide

6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide (PubChem CID 118206024) has the molecular formula C21H22ClFN8O2 and a molecular weight of 472.91 g/mol. Its IUPAC name is 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide
• PubChem CID: 118206024
• Molecular Formula: C21H22ClFN8O2
• Molecular Weight: 472.91 g/mol
• Exact Mass: 472.15
• IUPAC Name: 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide
• SMILES: Cn1cc(Nc2cc(-n3cnc4cc(Cl)cnc43)ncc2C(=O)NCC(F)C(C)(C)O)cn1
• InChI: InChI=1S/C21H22ClFN8O2/c1-21(2,33)17(23)9-26-20(32)14-8-24-18(5-15(14)29-13-7-28-30(3)10-13)31-11-27-16-4-12(22)6-25-19(16)31/h4-8,10-11,17,33H,9H2,1-3H3,(H,24,29)(H,26,32)
• InChIKey: IWTYPMSTOHQGEZ-UHFFFAOYSA-N
• XLogP: 2.78
• TPSA: 122.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	472.91
LogP ≤ 5	2.78
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide?

The IUPAC name of 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide (CID 118206024) is 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-methylpyrazol-4-yl)amino]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-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide?

The canonical SMILES for 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide is Cn1cc(Nc2cc(-n3cnc4cc(Cl)cnc43)ncc2C(=O)NCC(F)C(C)(C)O)cn1.

What is the InChIKey of 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide?

The InChIKey is IWTYPMSTOHQGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClFN8O2/c1-21(2,33)17(23)9-26-20(32)14-8-24-18(5-15(14)29-13-7-28-30(3)10-13)31-11-27-16-4-12(22)6-25-19(16)31/h4-8,10-11,17,33H,9H2,1-3H3,(H,24,29)(H,26,32).

What are the key properties of 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide?

6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-4-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide has a molecular weight of 472.91 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 9 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-[(1-methylpyrazol-4-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 118206024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).