[(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

C25H35N7O3 — CID 92746923

About [(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone

[(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 92746923) has the molecular formula C25H35N7O3 and a molecular weight of 481.60 g/mol. Its IUPAC name is [(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
• PubChem CID: 92746923
• Molecular Formula: C25H35N7O3
• Molecular Weight: 481.60 g/mol
• Exact Mass: 481.28
• IUPAC Name: [(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone
• SMILES: CCN1CCN(c2ccc(N3CCC[C@@H](C(=O)N4CCN(C(=O)c5ccco5)CC4)C3)nn2)CC1
• InChI: InChI=1S/C25H35N7O3/c1-2-28-10-12-29(13-11-28)22-7-8-23(27-26-22)32-9-3-5-20(19-32)24(33)30-14-16-31(17-15-30)25(34)21-6-4-18-35-21/h4,6-8,18,20H,2-3,5,9-17,19H2,1H3/t20-/m1/s1
• InChIKey: HSZDCESUXPVGOF-HXUWFJFHSA-N
• XLogP: 1.41
• TPSA: 89.26 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	481.60
LogP ≤ 5	1.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?

The IUPAC name of [(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone (CID 92746923) is [(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone.

What is the SMILES notation for [(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?

The canonical SMILES for [(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is CCN1CCN(c2ccc(N3CCC[C@@H](C(=O)N4CCN(C(=O)c5ccco5)CC4)C3)nn2)CC1.

What is the InChIKey of [(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?

The InChIKey is HSZDCESUXPVGOF-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H35N7O3/c1-2-28-10-12-29(13-11-28)22-7-8-23(27-26-22)32-9-3-5-20(19-32)24(33)30-14-16-31(17-15-30)25(34)21-6-4-18-35-21/h4,6-8,18,20H,2-3,5,9-17,19H2,1H3/t20-/m1/s1.

What are the key properties of [(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone?

[(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 481.60 g/mol, XLogP of 1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [(3R)-1-[6-(4-ethylpiperazin-1-yl)pyridazin-3-yl]piperidin-3-yl]-[4-(furan-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 92746923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).