2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide

C25H26N4O3 — CID 95089908

About 2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide

2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide (PubChem CID 95089908) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide.

Molecular Properties

• Compound Name: 2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
• PubChem CID: 95089908
• Molecular Formula: C25H26N4O3
• Molecular Weight: 430.51 g/mol
• Exact Mass: 430.20
• IUPAC Name: 2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide
• SMILES: CC(C)c1cccc(NC(=O)Cn2nc(C(=O)N3c4ccccc4C[C@H]3C)ccc2=O)c1
• InChI: InChI=1S/C25H26N4O3/c1-16(2)18-8-6-9-20(14-18)26-23(30)15-28-24(31)12-11-21(27-28)25(32)29-17(3)13-19-7-4-5-10-22(19)29/h4-12,14,16-17H,13,15H2,1-3H3,(H,26,30)/t17-/m1/s1
• InChIKey: SHSKGCJEHZXCPQ-QGZVFWFLSA-N
• XLogP: 3.60
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.51
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?

The IUPAC name of 2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide (CID 95089908) is 2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide.

What is the SMILES notation for 2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?

The canonical SMILES for 2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide is CC(C)c1cccc(NC(=O)Cn2nc(C(=O)N3c4ccccc4C[C@H]3C)ccc2=O)c1.

What is the InChIKey of 2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?

The InChIKey is SHSKGCJEHZXCPQ-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-16(2)18-8-6-9-20(14-18)26-23(30)15-28-24(31)12-11-21(27-28)25(32)29-17(3)13-19-7-4-5-10-22(19)29/h4-12,14,16-17H,13,15H2,1-3H3,(H,26,30)/t17-/m1/s1.

What are the key properties of 2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide?

2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide has a molecular weight of 430.51 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(3-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 95089908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).