2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one

C24H25N3O2 — CID 25280934

IUPAC2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CCCC(=O)N3c4ccccc4C[C@H]3C)n2)cc1
InChIInChI=1S/C24H25N3O2/c1-17-9-11-19(12-10-17)21-13-14-23(28)26(25-21)15-5-8-24(29)27-18(2)16-20-6-3-4-7-22(20)27/h3-4,6-7,9-14,18H,5,8,15-16H2,1-2H3/t18-/m1/s1
InChIKeyGWKMLJNWPYEJFW-GOSISDBHSA-N
MW387.48 g/mol
LogP3.98
Rot. Bonds5

About 2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one

2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one (PubChem CID 25280934) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is 2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one
PubChem CID25280934
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC Name2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCc1ccc(-c2ccc(=O)n(CCCC(=O)N3c4ccccc4C[C@H]3C)n2)cc1
InChIInChI=1S/C24H25N3O2/c1-17-9-11-19(12-10-17)21-13-14-23(28)26(25-21)15-5-8-24(29)27-18(2)16-20-6-3-4-7-22(20)27/h3-4,6-7,9-14,18H,5,8,15-16H2,1-2H3/t18-/m1/s1
InChIKeyGWKMLJNWPYEJFW-GOSISDBHSA-N
XLogP3.98
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one with MolForge

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Related Compounds

6-(furan-2-yl)-2-[4-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]pyridazin-3-one
CID 42111137
6-(1,3-benzodioxol-5-yl)-2-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]pyridazin-3-one
CID 121051181
3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(4-methylphenyl)propanamide
CID 95067920
N-methyl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-phenylbutanamide
CID 16885772
6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]-2-propylpyridazin-3-one
CID 42162075
2-[3-(2-methyl-2,3-dihydroindol-1-yl)-3-oxopropyl]isoindole-1,3-dione
CID 17403440
4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]-N-(1-phenylethyl)butanamide
CID 16885773
2-[4-(3,4-dihydro-2H-quinolin-1-yl)-4-oxobutyl]-6-(4-ethoxyphenyl)pyridazin-3-one
CID 16885514
3-[3-[(2S)-2-methyl-2,3-dihydroindole-1-carbonyl]-6-oxopyridazin-1-yl]-N-(2-methylphenyl)propanamide
CID 95067862
N-(2-methylcyclohexyl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885648
2-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxopropyl]-6-[(2R)-2-methyl-2,3-dihydroindole-1-carbonyl]pyridazin-3-one
CID 95067860
N-butan-2-yl-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885644

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one (CID 25280934) is 2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one is Cc1ccc(-c2ccc(=O)n(CCCC(=O)N3c4ccccc4C[C@H]3C)n2)cc1.
What is the InChIKey of 2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one?
The InChIKey is GWKMLJNWPYEJFW-GOSISDBHSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-17-9-11-19(12-10-17)21-13-14-23(28)26(25-21)15-5-8-24(29)27-18(2)16-20-6-3-4-7-22(20)27/h3-4,6-7,9-14,18H,5,8,15-16H2,1-2H3/t18-/m1/s1.
What are the key properties of 2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one?
2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one has a molecular weight of 387.48 g/mol, XLogP of 3.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-4-oxobutyl]-6-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 25280934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).