[(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid

C36H38Cl2N10O3 — CID 159870220

About [(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid

[(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid (PubChem CID 159870220) has the molecular formula C36H38Cl2N10O3 and a molecular weight of 729.67 g/mol. Its IUPAC name is [(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: [(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid
• PubChem CID: 159870220
• Molecular Formula: C36H38Cl2N10O3
• Molecular Weight: 729.67 g/mol
• Exact Mass: 728.25
• IUPAC Name: [(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid
• SMILES: Cc1cccc(C(=O)N2CCCC[C@H]2c2cn3nc(Cl)ccc3n2)n1.Cc1cccc(C(=O)O)n1.Clc1ccc2nc([C@@H]3CCCCN3)cn2n1
• InChI: InChI=1S/C18H18ClN5O.C11H13ClN4.C7H7NO2/c1-12-5-4-6-13(20-12)18(25)23-10-3-2-7-15(23)14-11-24-17(21-14)9-8-16(19)22-24;12-10-4-5-11-14-9(7-16(11)15-10)8-3-1-2-6-13-8;1-5-3-2-4-6(8-5)7(9)10/h4-6,8-9,11,15H,2-3,7,10H2,1H3;4-5,7-8,13H,1-3,6H2;2-4H,1H3,(H,9,10)/t15-;8-;/m00./s1
• InChIKey: NSGCMJWFVDRFFC-GTZAHKIISA-N
• XLogP: 6.74
• TPSA: 155.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 4
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	729.67
LogP ≤ 5	6.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of [(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid (CID 159870220) is [(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid.

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

The canonical SMILES for [(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid is Cc1cccc(C(=O)N2CCCC[C@H]2c2cn3nc(Cl)ccc3n2)n1.Cc1cccc(C(=O)O)n1.Clc1ccc2nc([C@@H]3CCCCN3)cn2n1.

What is the InChIKey of [(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid?

The InChIKey is NSGCMJWFVDRFFC-GTZAHKIISA-N. The full InChI is InChI=1S/C18H18ClN5O.C11H13ClN4.C7H7NO2/c1-12-5-4-6-13(20-12)18(25)23-10-3-2-7-15(23)14-11-24-17(21-14)9-8-16(19)22-24;12-10-4-5-11-14-9(7-16(11)15-10)8-3-1-2-6-13-8;1-5-3-2-4-6(8-5)7(9)10/h4-6,8-9,11,15H,2-3,7,10H2,1H3;4-5,7-8,13H,1-3,6H2;2-4H,1H3,(H,9,10)/t15-;8-;/m00./s1.

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

[(2S)-2-(6-chloroimidazo[1,2-b]pyridazin-2-yl)piperidin-1-yl]-(6-methyl-2-pyridinyl)methanone;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid has a molecular weight of 729.67 g/mol, XLogP of 6.74, 4 rotatable bonds, 2 hydrogen bond donors, and 11 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]-(6-methyl-2-pyridinyl)methanone;6-chloro-2-[(2S)-piperidin-2-yl]imidazo[1,2-b]pyridazine;6-methylpyridine-2-carboxylic acid is sourced from PubChem (CID 159870220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).