N-(3,5-dimethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide

C26H37N7O4 — CID 122336889

About N-(3,5-dimethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide

N-(3,5-dimethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide (PubChem CID 122336889) has the molecular formula C26H37N7O4 and a molecular weight of 511.63 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide.

Molecular Properties

• Compound Name: N-(3,5-dimethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
• PubChem CID: 122336889
• Molecular Formula: C26H37N7O4
• Molecular Weight: 511.63 g/mol
• Exact Mass: 511.29
• IUPAC Name: N-(3,5-dimethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide
• SMILES: COc1cc(NC(=O)N2CCN(c3ccc(N4CCN(CC5CCCO5)CC4)nn3)CC2)cc(OC)c1
• InChI: InChI=1S/C26H37N7O4/c1-35-22-16-20(17-23(18-22)36-2)27-26(34)33-13-11-32(12-14-33)25-6-5-24(28-29-25)31-9-7-30(8-10-31)19-21-4-3-15-37-21/h5-6,16-18,21H,3-4,7-15,19H2,1-2H3,(H,27,34)
• InChIKey: JHGYVUPFLOZCEQ-UHFFFAOYSA-N
• XLogP: 2.15
• TPSA: 95.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.63
LogP ≤ 5	2.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide?

The IUPAC name of N-(3,5-dimethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide (CID 122336889) is N-(3,5-dimethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide.

What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide?

The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide is COc1cc(NC(=O)N2CCN(c3ccc(N4CCN(CC5CCCO5)CC4)nn3)CC2)cc(OC)c1.

What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide?

The InChIKey is JHGYVUPFLOZCEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N7O4/c1-35-22-16-20(17-23(18-22)36-2)27-26(34)33-13-11-32(12-14-33)25-6-5-24(28-29-25)31-9-7-30(8-10-31)19-21-4-3-15-37-21/h5-6,16-18,21H,3-4,7-15,19H2,1-2H3,(H,27,34).

What are the key properties of N-(3,5-dimethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide?

N-(3,5-dimethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide has a molecular weight of 511.63 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,5-dimethoxyphenyl)-4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazine-1-carboxamide is sourced from PubChem (CID 122336889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).