N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide

C25H35N7O3 — CID 122336884

About N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide

N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 122336884) has the molecular formula C25H35N7O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
• PubChem CID: 122336884
• Molecular Formula: C25H35N7O3
• Molecular Weight: 481.60 g/mol
• Exact Mass: 481.28
• IUPAC Name: N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
• SMILES: COc1ccc(NC(=O)N2CCN(c3ccc(N4CCN(CC5CCCO5)CC4)nn3)CC2)cc1
• InChI: InChI=1S/C25H35N7O3/c1-34-21-6-4-20(5-7-21)26-25(33)32-16-14-31(15-17-32)24-9-8-23(27-28-24)30-12-10-29(11-13-30)19-22-3-2-18-35-22/h4-9,22H,2-3,10-19H2,1H3,(H,26,33)
• InChIKey: SWOAMWKQDJGBBO-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 86.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.60
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide?

The IUPAC name of N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide (CID 122336884) is N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide.

What is the SMILES notation for N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide?

The canonical SMILES for N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide is COc1ccc(NC(=O)N2CCN(c3ccc(N4CCN(CC5CCCO5)CC4)nn3)CC2)cc1.

What is the InChIKey of N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide?

The InChIKey is SWOAMWKQDJGBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N7O3/c1-34-21-6-4-20(5-7-21)26-25(33)32-16-14-31(15-17-32)24-9-8-23(27-28-24)30-12-10-29(11-13-30)19-22-3-2-18-35-22/h4-9,22H,2-3,10-19H2,1H3,(H,26,33).

What are the key properties of N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide?

N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 481.60 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-methoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 122336884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).