2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C23H19F3N4O3 — CID 95089771

About 2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 95089771) has the molecular formula C23H19F3N4O3 and a molecular weight of 456.42 g/mol. Its IUPAC name is 2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

• Compound Name: 2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
• PubChem CID: 95089771
• Molecular Formula: C23H19F3N4O3
• Molecular Weight: 456.42 g/mol
• Exact Mass: 456.14
• IUPAC Name: 2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
• SMILES: C[C@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CC(=O)Nc2ccccc2C(F)(F)F)n1
• InChI: InChI=1S/C23H19F3N4O3/c1-14-12-15-6-2-5-9-19(15)30(14)22(33)18-10-11-21(32)29(28-18)13-20(31)27-17-8-4-3-7-16(17)23(24,25)26/h2-11,14H,12-13H2,1H3,(H,27,31)/t14-/m0/s1
• InChIKey: WDWIPCTZLULTRJ-AWEZNQCLSA-N
• XLogP: 3.49
• TPSA: 84.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.42
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 95089771) is 2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

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

The canonical SMILES for 2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is C[C@H]1Cc2ccccc2N1C(=O)c1ccc(=O)n(CC(=O)Nc2ccccc2C(F)(F)F)n1.

What is the InChIKey of 2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?

The InChIKey is WDWIPCTZLULTRJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H19F3N4O3/c1-14-12-15-6-2-5-9-19(15)30(14)22(33)18-10-11-21(32)29(28-18)13-20(31)27-17-8-4-3-7-16(17)23(24,25)26/h2-11,14H,12-13H2,1H3,(H,27,31)/t14-/m0/s1.

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

2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 456.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 95089771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).