(4-methylthiophen-2-yl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone

C23H32N6O2S — CID 122336998

About (4-methylthiophen-2-yl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone

(4-methylthiophen-2-yl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122336998) has the molecular formula C23H32N6O2S and a molecular weight of 456.62 g/mol. Its IUPAC name is (4-methylthiophen-2-yl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-methylthiophen-2-yl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
• PubChem CID: 122336998
• Molecular Formula: C23H32N6O2S
• Molecular Weight: 456.62 g/mol
• Exact Mass: 456.23
• IUPAC Name: (4-methylthiophen-2-yl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone
• SMILES: Cc1csc(C(=O)N2CCN(c3ccc(N4CCN(CC5CCCO5)CC4)nn3)CC2)c1
• InChI: InChI=1S/C23H32N6O2S/c1-18-15-20(32-17-18)23(30)29-12-10-28(11-13-29)22-5-4-21(24-25-22)27-8-6-26(7-9-27)16-19-3-2-14-31-19/h4-5,15,17,19H,2-3,6-14,16H2,1H3
• InChIKey: AVQAYYFWVJZDBJ-UHFFFAOYSA-N
• XLogP: 2.11
• TPSA: 65.04 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.62
LogP ≤ 5	2.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (4-methylthiophen-2-yl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone?

The IUPAC name of (4-methylthiophen-2-yl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone (CID 122336998) is (4-methylthiophen-2-yl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone.

What is the SMILES notation for (4-methylthiophen-2-yl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone?

The canonical SMILES for (4-methylthiophen-2-yl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone is Cc1csc(C(=O)N2CCN(c3ccc(N4CCN(CC5CCCO5)CC4)nn3)CC2)c1.

What is the InChIKey of (4-methylthiophen-2-yl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone?

The InChIKey is AVQAYYFWVJZDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N6O2S/c1-18-15-20(32-17-18)23(30)29-12-10-28(11-13-29)22-5-4-21(24-25-22)27-8-6-26(7-9-27)16-19-3-2-14-31-19/h4-5,15,17,19H,2-3,6-14,16H2,1H3.

What are the key properties of (4-methylthiophen-2-yl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone?

(4-methylthiophen-2-yl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 456.62 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methylthiophen-2-yl)-[4-[6-[4-(oxolan-2-ylmethyl)piperazin-1-yl]pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122336998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).