6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

C22H25N7O3S — CID 122339407

About 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one

6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 122339407) has the molecular formula C22H25N7O3S and a molecular weight of 467.56 g/mol. Its IUPAC name is 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
• PubChem CID: 122339407
• Molecular Formula: C22H25N7O3S
• Molecular Weight: 467.56 g/mol
• Exact Mass: 467.17
• IUPAC Name: 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
• SMILES: Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4ccc5c(c4)CCC(=O)N5)CC3)nn2)n1
• InChI: InChI=1S/C22H25N7O3S/c1-15-13-16(2)29(26-15)21-7-6-20(24-25-21)27-9-11-28(12-10-27)33(31,32)18-4-5-19-17(14-18)3-8-22(30)23-19/h4-7,13-14H,3,8-12H2,1-2H3,(H,23,30)
• InChIKey: SQZJPMKEDJAESR-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 113.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.56
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?

The IUPAC name of 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one (CID 122339407) is 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one.

What is the SMILES notation for 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?

The canonical SMILES for 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is Cc1cc(C)n(-c2ccc(N3CCN(S(=O)(=O)c4ccc5c(c4)CCC(=O)N5)CC3)nn2)n1.

What is the InChIKey of 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?

The InChIKey is SQZJPMKEDJAESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N7O3S/c1-15-13-16(2)29(26-15)21-7-6-20(24-25-21)27-9-11-28(12-10-27)33(31,32)18-4-5-19-17(14-18)3-8-22(30)23-19/h4-7,13-14H,3,8-12H2,1-2H3,(H,23,30).

What are the key properties of 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one?

6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 467.56 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 122339407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).