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

C23H25ClF2N8O2 — CID 118206505

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

6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide (PubChem CID 118206505) has the molecular formula C23H25ClF2N8O2 and a molecular weight of 518.96 g/mol. Its IUPAC name is 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide
• PubChem CID: 118206505
• Molecular Formula: C23H25ClF2N8O2
• Molecular Weight: 518.96 g/mol
• Exact Mass: 518.18
• IUPAC Name: 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide
• SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2cnc3cc(Cl)cnc32)cc1Nc1cnn(CCCF)c1
• InChI: InChI=1S/C23H25ClF2N8O2/c1-23(2,36)19(26)11-29-22(35)16-10-27-20(34-13-30-18-6-14(24)8-28-21(18)34)7-17(16)32-15-9-31-33(12-15)5-3-4-25/h6-10,12-13,19,36H,3-5,11H2,1-2H3,(H,27,32)(H,29,35)/t19-/m1/s1
• InChIKey: VUFUZVVTFSRXGR-LJQANCHMSA-N
• XLogP: 3.61
• TPSA: 122.78 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.96
LogP ≤ 5	3.61
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-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide?

The IUPAC name of 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide (CID 118206505) is 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide.

What is the SMILES notation for 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide?

The canonical SMILES for 6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-n2cnc3cc(Cl)cnc32)cc1Nc1cnn(CCCF)c1.

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

The InChIKey is VUFUZVVTFSRXGR-LJQANCHMSA-N. The full InChI is InChI=1S/C23H25ClF2N8O2/c1-23(2,36)19(26)11-29-22(35)16-10-27-20(34-13-30-18-6-14(24)8-28-21(18)34)7-17(16)32-15-9-31-33(12-15)5-3-4-25/h6-10,12-13,19,36H,3-5,11H2,1-2H3,(H,27,32)(H,29,35)/t19-/m1/s1.

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

6-(6-chloroimidazo[4,5-b]pyridin-3-yl)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide has a molecular weight of 518.96 g/mol, XLogP of 3.61, 10 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-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[[1-(3-fluoropropyl)pyrazol-4-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 118206505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).