1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone

C28H28N6O — CID 121064730

About 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone

1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone (PubChem CID 121064730) has the molecular formula C28H28N6O and a molecular weight of 464.57 g/mol. Its IUPAC name is 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone.

Molecular Properties

• Compound Name: 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone
• PubChem CID: 121064730
• Molecular Formula: C28H28N6O
• Molecular Weight: 464.57 g/mol
• Exact Mass: 464.23
• IUPAC Name: 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone
• SMILES: Cc1ccnc(Nc2ccc(N3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)nn2)c1
• InChI: InChI=1S/C28H28N6O/c1-21-14-15-29-25(20-21)30-24-12-13-26(32-31-24)33-16-18-34(19-17-33)28(35)27(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,20,27H,16-19H2,1H3,(H,29,30,31)
• InChIKey: CFWCGGWWCLWXOY-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 74.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.57
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone?

The IUPAC name of 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone (CID 121064730) is 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone.

What is the SMILES notation for 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone?

The canonical SMILES for 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone is Cc1ccnc(Nc2ccc(N3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)nn2)c1.

What is the InChIKey of 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone?

The InChIKey is CFWCGGWWCLWXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N6O/c1-21-14-15-29-25(20-21)30-24-12-13-26(32-31-24)33-16-18-34(19-17-33)28(35)27(22-8-4-2-5-9-22)23-10-6-3-7-11-23/h2-15,20,27H,16-19H2,1H3,(H,29,30,31).

What are the key properties of 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone?

1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone has a molecular weight of 464.57 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-2,2-diphenylethanone is sourced from PubChem (CID 121064730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).