[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone

C27H35N7O — CID 90514708

About [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone

[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone (PubChem CID 90514708) has the molecular formula C27H35N7O and a molecular weight of 473.63 g/mol. Its IUPAC name is [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
• PubChem CID: 90514708
• Molecular Formula: C27H35N7O
• Molecular Weight: 473.63 g/mol
• Exact Mass: 473.29
• IUPAC Name: [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
• SMILES: Cc1ccc(C)c(N2CCN(C(=O)C3CCCN(c4ccc(-n5nc(C)cc5C)nn4)C3)CC2)c1
• InChI: InChI=1S/C27H35N7O/c1-19-7-8-20(2)24(16-19)31-12-14-32(15-13-31)27(35)23-6-5-11-33(18-23)25-9-10-26(29-28-25)34-22(4)17-21(3)30-34/h7-10,16-17,23H,5-6,11-15,18H2,1-4H3
• InChIKey: SPNFWZNBWQRJLP-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 70.39 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.63
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone?

The IUPAC name of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone (CID 90514708) is [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone.

What is the SMILES notation for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone?

The canonical SMILES for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone is Cc1ccc(C)c(N2CCN(C(=O)C3CCCN(c4ccc(-n5nc(C)cc5C)nn4)C3)CC2)c1.

What is the InChIKey of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone?

The InChIKey is SPNFWZNBWQRJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N7O/c1-19-7-8-20(2)24(16-19)31-12-14-32(15-13-31)27(35)23-6-5-11-33(18-23)25-9-10-26(29-28-25)34-22(4)17-21(3)30-34/h7-10,16-17,23H,5-6,11-15,18H2,1-4H3.

What are the key properties of [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone?

[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone has a molecular weight of 473.63 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 90514708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).