[4-(dimethylamino)phenyl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone

C23H27N7O — CID 122347137

About [4-(dimethylamino)phenyl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone

[4-(dimethylamino)phenyl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122347137) has the molecular formula C23H27N7O and a molecular weight of 417.52 g/mol. Its IUPAC name is [4-(dimethylamino)phenyl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [4-(dimethylamino)phenyl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
• PubChem CID: 122347137
• Molecular Formula: C23H27N7O
• Molecular Weight: 417.52 g/mol
• Exact Mass: 417.23
• IUPAC Name: [4-(dimethylamino)phenyl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone
• SMILES: Cc1cccc(Nc2ccc(N3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)nn2)n1
• InChI: InChI=1S/C23H27N7O/c1-17-5-4-6-20(24-17)25-21-11-12-22(27-26-21)29-13-15-30(16-14-29)23(31)18-7-9-19(10-8-18)28(2)3/h4-12H,13-16H2,1-3H3,(H,24,25,26)
• InChIKey: CTUNARRTQJJQIZ-UHFFFAOYSA-N
• XLogP: 2.95
• TPSA: 77.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.52
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [4-(dimethylamino)phenyl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone (CID 122347137) is [4-(dimethylamino)phenyl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone.

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

The canonical SMILES for [4-(dimethylamino)phenyl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is Cc1cccc(Nc2ccc(N3CCN(C(=O)c4ccc(N(C)C)cc4)CC3)nn2)n1.

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

The InChIKey is CTUNARRTQJJQIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N7O/c1-17-5-4-6-20(24-17)25-21-11-12-22(27-26-21)29-13-15-30(16-14-29)23(31)18-7-9-19(10-8-18)28(2)3/h4-12H,13-16H2,1-3H3,(H,24,25,26).

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

[4-(dimethylamino)phenyl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 417.52 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(dimethylamino)phenyl]-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122347137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).