6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(indolizine-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one

C24H27N7O2 — CID 126916344

About 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(indolizine-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one

6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(indolizine-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126916344) has the molecular formula C24H27N7O2 and a molecular weight of 445.53 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(indolizine-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(indolizine-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
• PubChem CID: 126916344
• Molecular Formula: C24H27N7O2
• Molecular Weight: 445.53 g/mol
• Exact Mass: 445.22
• IUPAC Name: 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(indolizine-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
• SMILES: Cc1cc(C)n(-c2ccc(=O)n(CCN3CCN(C(=O)c4cc5ccccn5c4)CC3)n2)n1
• InChI: InChI=1S/C24H27N7O2/c1-18-15-19(2)31(25-18)22-6-7-23(32)30(26-22)14-11-27-9-12-28(13-10-27)24(33)20-16-21-5-3-4-8-29(21)17-20/h3-8,15-17H,9-14H2,1-2H3
• InChIKey: LMGYKVNEMFIMFF-UHFFFAOYSA-N
• XLogP: 1.76
• TPSA: 80.67 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.53
LogP ≤ 5	1.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(indolizine-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?

The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(indolizine-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126916344) is 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(indolizine-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one.

What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(indolizine-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?

The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(indolizine-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(CCN3CCN(C(=O)c4cc5ccccn5c4)CC3)n2)n1.

What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(indolizine-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?

The InChIKey is LMGYKVNEMFIMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7O2/c1-18-15-19(2)31(25-18)22-6-7-23(32)30(26-22)14-11-27-9-12-28(13-10-27)24(33)20-16-21-5-3-4-8-29(21)17-20/h3-8,15-17H,9-14H2,1-2H3.

What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(indolizine-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one?

6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(indolizine-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 445.53 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(indolizine-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126916344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).