2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol

C32H26ClN9OS2 — CID 157131226

About 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol

2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol (PubChem CID 157131226) has the molecular formula C32H26ClN9OS2 and a molecular weight of 652.21 g/mol. Its IUPAC name is 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol.

Molecular Properties

• Compound Name: 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol
• PubChem CID: 157131226
• Molecular Formula: C32H26ClN9OS2
• Molecular Weight: 652.21 g/mol
• Exact Mass: 651.14
• IUPAC Name: 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol
• SMILES: Clc1ccc2ncc(-c3cc4ccncc4s3)n2n1.OC1CCC(Nc2ccc3ncc(-c4cc5ccncc5s4)n3n2)CC1
• InChI: InChI=1S/C19H19N5OS.C13H7ClN4S/c25-14-3-1-13(2-4-14)22-18-5-6-19-21-10-15(24(19)23-18)16-9-12-7-8-20-11-17(12)26-16;14-12-1-2-13-16-6-9(18(13)17-12)10-5-8-3-4-15-7-11(8)19-10/h5-11,13-14,25H,1-4H2,(H,22,23);1-7H
• InChIKey: AJCFOEWPVTVYGF-UHFFFAOYSA-N
• XLogP: 7.38
• TPSA: 118.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	652.21
LogP ≤ 5	7.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol?

The IUPAC name of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol (CID 157131226) is 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol.

What is the SMILES notation for 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol?

The canonical SMILES for 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol is Clc1ccc2ncc(-c3cc4ccncc4s3)n2n1.OC1CCC(Nc2ccc3ncc(-c4cc5ccncc5s4)n3n2)CC1.

What is the InChIKey of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol?

The InChIKey is AJCFOEWPVTVYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5OS.C13H7ClN4S/c25-14-3-1-13(2-4-14)22-18-5-6-19-21-10-15(24(19)23-18)16-9-12-7-8-20-11-17(12)26-16;14-12-1-2-13-16-6-9(18(13)17-12)10-5-8-3-4-15-7-11(8)19-10/h5-11,13-14,25H,1-4H2,(H,22,23);1-7H.

What are the key properties of 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol?

2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol has a molecular weight of 652.21 g/mol, XLogP of 7.38, 4 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloroimidazo[1,2-b]pyridazin-3-yl)thieno[2,3-c]pyridine;4-[(3-thieno[2,3-c]pyridin-2-ylimidazo[1,2-b]pyridazin-6-yl)amino]cyclohexan-1-ol is sourced from PubChem (CID 157131226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).