1-[2-methyl-5-[4-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

C28H33N5O3S — CID 121060876

About 1-[2-methyl-5-[4-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

1-[2-methyl-5-[4-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 121060876) has the molecular formula C28H33N5O3S and a molecular weight of 519.67 g/mol. Its IUPAC name is 1-[2-methyl-5-[4-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-[2-methyl-5-[4-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
• PubChem CID: 121060876
• Molecular Formula: C28H33N5O3S
• Molecular Weight: 519.67 g/mol
• Exact Mass: 519.23
• IUPAC Name: 1-[2-methyl-5-[4-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
• SMILES: CC(=O)N1c2ccc(S(=O)(=O)N3CCN(c4ccc(-c5cc(C)c(C)cc5C)nn4)CC3)cc2CC1C
• InChI: InChI=1S/C28H33N5O3S/c1-18-14-20(3)25(15-19(18)2)26-7-9-28(30-29-26)31-10-12-32(13-11-31)37(35,36)24-6-8-27-23(17-24)16-21(4)33(27)22(5)34/h6-9,14-15,17,21H,10-13,16H2,1-5H3
• InChIKey: LASNFNHLDLMIKX-UHFFFAOYSA-N
• XLogP: 3.88
• TPSA: 86.71 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.67
LogP ≤ 5	3.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[2-methyl-5-[4-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?

The IUPAC name of 1-[2-methyl-5-[4-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 121060876) is 1-[2-methyl-5-[4-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

What is the SMILES notation for 1-[2-methyl-5-[4-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?

The canonical SMILES for 1-[2-methyl-5-[4-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1c2ccc(S(=O)(=O)N3CCN(c4ccc(-c5cc(C)c(C)cc5C)nn4)CC3)cc2CC1C.

What is the InChIKey of 1-[2-methyl-5-[4-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?

The InChIKey is LASNFNHLDLMIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N5O3S/c1-18-14-20(3)25(15-19(18)2)26-7-9-28(30-29-26)31-10-12-32(13-11-31)37(35,36)24-6-8-27-23(17-24)16-21(4)33(27)22(5)34/h6-9,14-15,17,21H,10-13,16H2,1-5H3.

What are the key properties of 1-[2-methyl-5-[4-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?

1-[2-methyl-5-[4-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 519.67 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-methyl-5-[4-[6-(2,4,5-trimethylphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 121060876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).