N-(3-fluoro-4-methylphenyl)-3-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide

C24H23FN4O3 — CID 95067901

About N-(3-fluoro-4-methylphenyl)-3-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide

N-(3-fluoro-4-methylphenyl)-3-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide (PubChem CID 95067901) has the molecular formula C24H23FN4O3 and a molecular weight of 434.47 g/mol. Its IUPAC name is N-(3-fluoro-4-methylphenyl)-3-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide.

Molecular Properties

• Compound Name: N-(3-fluoro-4-methylphenyl)-3-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide
• PubChem CID: 95067901
• Molecular Formula: C24H23FN4O3
• Molecular Weight: 434.47 g/mol
• Exact Mass: 434.18
• IUPAC Name: N-(3-fluoro-4-methylphenyl)-3-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide
• SMILES: Cc1ccc(NC(=O)CCn2nc(C(=O)N3c4ccccc4C[C@H]3C)ccc2=O)cc1F
• InChI: InChI=1S/C24H23FN4O3/c1-15-7-8-18(14-19(15)25)26-22(30)11-12-28-23(31)10-9-20(27-28)24(32)29-16(2)13-17-5-3-4-6-21(17)29/h3-10,14,16H,11-13H2,1-2H3,(H,26,30)/t16-/m1/s1
• InChIKey: JICGJQXKFULGJJ-MRXNPFEDSA-N
• XLogP: 3.31
• 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	434.47
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-4-methylphenyl)-3-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide?

The IUPAC name of N-(3-fluoro-4-methylphenyl)-3-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide (CID 95067901) is N-(3-fluoro-4-methylphenyl)-3-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide.

What is the SMILES notation for N-(3-fluoro-4-methylphenyl)-3-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide?

The canonical SMILES for N-(3-fluoro-4-methylphenyl)-3-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide is Cc1ccc(NC(=O)CCn2nc(C(=O)N3c4ccccc4C[C@H]3C)ccc2=O)cc1F.

What is the InChIKey of N-(3-fluoro-4-methylphenyl)-3-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide?

The InChIKey is JICGJQXKFULGJJ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H23FN4O3/c1-15-7-8-18(14-19(15)25)26-22(30)11-12-28-23(31)10-9-20(27-28)24(32)29-16(2)13-17-5-3-4-6-21(17)29/h3-10,14,16H,11-13H2,1-2H3,(H,26,30)/t16-/m1/s1.

What are the key properties of N-(3-fluoro-4-methylphenyl)-3-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide?

N-(3-fluoro-4-methylphenyl)-3-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide has a molecular weight of 434.47 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3-fluoro-4-methylphenyl)-3-[3-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]propanamide is sourced from PubChem (CID 95067901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).