5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)pyridin-2-amine

C20H22ClFN6O — CID 177159461

About 5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)pyridin-2-amine

5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)pyridin-2-amine (PubChem CID 177159461) has the molecular formula C20H22ClFN6O and a molecular weight of 416.89 g/mol. Its IUPAC name is 5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)pyridin-2-amine.

Molecular Properties

• Compound Name: 5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)pyridin-2-amine
• PubChem CID: 177159461
• Molecular Formula: C20H22ClFN6O
• Molecular Weight: 416.89 g/mol
• Exact Mass: 416.15
• IUPAC Name: 5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)pyridin-2-amine
• SMILES: COc1cc2ncc(-c3nc(NC4CNCCC4F)ccc3Cl)n2nc1C1CC1
• InChI: InChI=1S/C20H22ClFN6O/c1-29-16-8-18-24-10-15(28(18)27-19(16)11-2-3-11)20-12(21)4-5-17(26-20)25-14-9-23-7-6-13(14)22/h4-5,8,10-11,13-14,23H,2-3,6-7,9H2,1H3,(H,25,26)
• InChIKey: YNEXQWWINRLSEQ-UHFFFAOYSA-N
• XLogP: 3.44
• TPSA: 76.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.89
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)pyridin-2-amine?

The IUPAC name of 5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)pyridin-2-amine (CID 177159461) is 5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)pyridin-2-amine.

What is the SMILES notation for 5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)pyridin-2-amine?

The canonical SMILES for 5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)pyridin-2-amine is COc1cc2ncc(-c3nc(NC4CNCCC4F)ccc3Cl)n2nc1C1CC1.

What is the InChIKey of 5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)pyridin-2-amine?

The InChIKey is YNEXQWWINRLSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClFN6O/c1-29-16-8-18-24-10-15(28(18)27-19(16)11-2-3-11)20-12(21)4-5-17(26-20)25-14-9-23-7-6-13(14)22/h4-5,8,10-11,13-14,23H,2-3,6-7,9H2,1H3,(H,25,26).

What are the key properties of 5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)pyridin-2-amine?

5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)pyridin-2-amine has a molecular weight of 416.89 g/mol, XLogP of 3.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-(4-fluoropiperidin-3-yl)pyridin-2-amine is sourced from PubChem (CID 177159461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).