6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-4-[(3-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide

C23H25F2N7O2 — CID 139508066

About 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-4-[(3-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide

6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-4-[(3-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide (PubChem CID 139508066) has the molecular formula C23H25F2N7O2 and a molecular weight of 469.50 g/mol. Its IUPAC name is 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-4-[(3-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-4-[(3-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
• PubChem CID: 139508066
• Molecular Formula: C23H25F2N7O2
• Molecular Weight: 469.50 g/mol
• Exact Mass: 469.20
• IUPAC Name: 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-4-[(3-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide
• SMILES: CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2cnc3cc(C#N)cnn23)cc1NC1CCC(F)C1
• InChI: InChI=1S/C23H25F2N7O2/c1-23(2,34)20(25)12-29-22(33)16-10-27-18(7-17(16)31-15-4-3-14(24)6-15)19-11-28-21-5-13(8-26)9-30-32(19)21/h5,7,9-11,14-15,20,34H,3-4,6,12H2,1-2H3,(H,27,31)(H,29,33)/t14?,15?,20-/m1/s1
• InChIKey: IIIDKYMQTCYQIT-NODKNVJMSA-N
• XLogP: 2.80
• TPSA: 128.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	469.50
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-4-[(3-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?

The IUPAC name of 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-4-[(3-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide (CID 139508066) is 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-4-[(3-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide.

What is the SMILES notation for 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-4-[(3-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?

The canonical SMILES for 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-4-[(3-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(-c2cnc3cc(C#N)cnn23)cc1NC1CCC(F)C1.

What is the InChIKey of 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-4-[(3-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?

The InChIKey is IIIDKYMQTCYQIT-NODKNVJMSA-N. The full InChI is InChI=1S/C23H25F2N7O2/c1-23(2,34)20(25)12-29-22(33)16-10-27-18(7-17(16)31-15-4-3-14(24)6-15)19-11-28-21-5-13(8-26)9-30-32(19)21/h5,7,9-11,14-15,20,34H,3-4,6,12H2,1-2H3,(H,27,31)(H,29,33)/t14?,15?,20-/m1/s1.

What are the key properties of 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-4-[(3-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide?

6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-4-[(3-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide has a molecular weight of 469.50 g/mol, XLogP of 2.80, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(7-cyanoimidazo[1,2-b]pyridazin-3-yl)-4-[(3-fluorocyclopentyl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]pyridine-3-carboxamide is sourced from PubChem (CID 139508066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).