6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one

C23H32N8O — CID 126916495

About 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one

6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126916495) has the molecular formula C23H32N8O and a molecular weight of 436.56 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
• PubChem CID: 126916495
• Molecular Formula: C23H32N8O
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.27
• IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
• SMILES: Cc1cc(C)n(-c2ccc(=O)n(CCN3CCN(Cc4cnc5n4CCCC5)CC3)n2)n1
• InChI: InChI=1S/C23H32N8O/c1-18-15-19(2)31(25-18)22-6-7-23(32)30(26-22)14-13-27-9-11-28(12-10-27)17-20-16-24-21-5-3-4-8-29(20)21/h6-7,15-16H,3-5,8-14,17H2,1-2H3
• InChIKey: ILJQHKDSHITMLB-UHFFFAOYSA-N
• XLogP: 1.40
• TPSA: 77.01 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one?

The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126916495) is 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one.

What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one?

The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(CCN3CCN(Cc4cnc5n4CCCC5)CC3)n2)n1.

What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one?

The InChIKey is ILJQHKDSHITMLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N8O/c1-18-15-19(2)31(25-18)22-6-7-23(32)30(26-22)14-13-27-9-11-28(12-10-27)17-20-16-24-21-5-3-4-8-29(20)21/h6-7,15-16H,3-5,8-14,17H2,1-2H3.

What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one?

6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 436.56 g/mol, XLogP of 1.40, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126916495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).