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

C20H23ClN6O — CID 177159396

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

5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3R)-piperidin-3-yl]pyridin-2-amine (PubChem CID 177159396) has the molecular formula C20H23ClN6O and a molecular weight of 398.90 g/mol. Its IUPAC name is 5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3R)-piperidin-3-yl]pyridin-2-amine.

Molecular Properties

• Compound Name: 5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3R)-piperidin-3-yl]pyridin-2-amine
• PubChem CID: 177159396
• Molecular Formula: C20H23ClN6O
• Molecular Weight: 398.90 g/mol
• Exact Mass: 398.16
• IUPAC Name: 5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3R)-piperidin-3-yl]pyridin-2-amine
• SMILES: COc1cc2ncc(-c3nc(N[C@@H]4CCCNC4)ccc3Cl)n2nc1C1CC1
• InChI: InChI=1S/C20H23ClN6O/c1-28-16-9-18-23-11-15(27(18)26-19(16)12-4-5-12)20-14(21)6-7-17(25-20)24-13-3-2-8-22-10-13/h6-7,9,11-13,22H,2-5,8,10H2,1H3,(H,24,25)/t13-/m1/s1
• InChIKey: LUEQEJFTSQRZFC-CYBMUJFWSA-N
• XLogP: 3.49
• TPSA: 76.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	398.90
LogP ≤ 5	3.49
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-[(3R)-piperidin-3-yl]pyridin-2-amine?

The IUPAC name of 5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3R)-piperidin-3-yl]pyridin-2-amine (CID 177159396) is 5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3R)-piperidin-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-[(3R)-piperidin-3-yl]pyridin-2-amine?

The canonical SMILES for 5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3R)-piperidin-3-yl]pyridin-2-amine is COc1cc2ncc(-c3nc(N[C@@H]4CCCNC4)ccc3Cl)n2nc1C1CC1.

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

The InChIKey is LUEQEJFTSQRZFC-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23ClN6O/c1-28-16-9-18-23-11-15(27(18)26-19(16)12-4-5-12)20-14(21)6-7-17(25-20)24-13-3-2-8-22-10-13/h6-7,9,11-13,22H,2-5,8,10H2,1H3,(H,24,25)/t13-/m1/s1.

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

5-chloro-6-(6-cyclopropyl-7-methoxyimidazo[1,2-b]pyridazin-3-yl)-N-[(3R)-piperidin-3-yl]pyridin-2-amine has a molecular weight of 398.90 g/mol, XLogP of 3.49, 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-[(3R)-piperidin-3-yl]pyridin-2-amine is sourced from PubChem (CID 177159396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).