[(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone;5-chloro-2-methylbenzoic acid;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine

C38H38Cl4N8O3 — CID 157382625

About [(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone;5-chloro-2-methylbenzoic acid;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine

[(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone;5-chloro-2-methylbenzoic acid;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine (PubChem CID 157382625) has the molecular formula C38H38Cl4N8O3 and a molecular weight of 796.59 g/mol. Its IUPAC name is [(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone;5-chloro-2-methylbenzoic acid;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine.

Molecular Properties

• Compound Name: [(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone;5-chloro-2-methylbenzoic acid;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine
• PubChem CID: 157382625
• Molecular Formula: C38H38Cl4N8O3
• Molecular Weight: 796.59 g/mol
• Exact Mass: 794.18
• IUPAC Name: [(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone;5-chloro-2-methylbenzoic acid;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine
• SMILES: Cc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cn2nc(Cl)ccc2n1.Cc1ccc(Cl)cc1C(=O)O.Clc1ccc2nc([C@@H]3CCCCN3)cn2n1
• InChI: InChI=1S/C19H18Cl2N4O.C11H13ClN4.C8H7ClO2/c1-12-5-6-13(20)10-14(12)19(26)24-9-3-2-4-16(24)15-11-25-18(22-15)8-7-17(21)23-25;12-10-4-5-11-14-9(7-16(11)15-10)8-3-1-2-6-13-8;1-5-2-3-6(9)4-7(5)8(10)11/h5-8,10-11,16H,2-4,9H2,1H3;4-5,7-8,13H,1-3,6H2;2-4H,1H3,(H,10,11)/t16-;8-;/m00./s1
• InChIKey: BLBGYZCAIWBBDC-SZRRAYFDSA-N
• XLogP: 9.26
• TPSA: 130.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	796.59
LogP ≤ 5	9.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone;5-chloro-2-methylbenzoic acid;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine?

The IUPAC name of [(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone;5-chloro-2-methylbenzoic acid;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine (CID 157382625) is [(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone;5-chloro-2-methylbenzoic acid;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine.

What is the SMILES notation for [(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone;5-chloro-2-methylbenzoic acid;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine?

The canonical SMILES for [(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone;5-chloro-2-methylbenzoic acid;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine is Cc1ccc(Cl)cc1C(=O)N1CCCC[C@H]1c1cn2nc(Cl)ccc2n1.Cc1ccc(Cl)cc1C(=O)O.Clc1ccc2nc([C@@H]3CCCCN3)cn2n1.

What is the InChIKey of [(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone;5-chloro-2-methylbenzoic acid;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine?

The InChIKey is BLBGYZCAIWBBDC-SZRRAYFDSA-N. The full InChI is InChI=1S/C19H18Cl2N4O.C11H13ClN4.C8H7ClO2/c1-12-5-6-13(20)10-14(12)19(26)24-9-3-2-4-16(24)15-11-25-18(22-15)8-7-17(21)23-25;12-10-4-5-11-14-9(7-16(11)15-10)8-3-1-2-6-13-8;1-5-2-3-6(9)4-7(5)8(10)11/h5-8,10-11,16H,2-4,9H2,1H3;4-5,7-8,13H,1-3,6H2;2-4H,1H3,(H,10,11)/t16-;8-;/m00./s1.

What are the key properties of [(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone;5-chloro-2-methylbenzoic acid;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine?

[(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone;5-chloro-2-methylbenzoic acid;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine has a molecular weight of 796.59 g/mol, XLogP of 9.26, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(5-chloro-2-methylphenyl)methanone;5-chloro-2-methylbenzoic acid;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 157382625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).