2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(4-methylphenyl)pyridazin-3-one

C23H23N3O2 — CID 28623198

IUPAC2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCC[C@@H](C(=O)N1CCc2ccccc21)n1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C23H23N3O2/c1-3-20(23(28)25-15-14-18-6-4-5-7-21(18)25)26-22(27)13-12-19(24-26)17-10-8-16(2)9-11-17/h4-13,20H,3,14-15H2,1-2H3/t20-/m0/s1
InChIKeyLQJBJBQVFJZYPU-FQEVSTJZSA-N
MW373.46 g/mol
LogP3.76
Rot. Bonds4

About 2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(4-methylphenyl)pyridazin-3-one

2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(4-methylphenyl)pyridazin-3-one (PubChem CID 28623198) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(4-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(4-methylphenyl)pyridazin-3-one
PubChem CID28623198
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(4-methylphenyl)pyridazin-3-one
SMILESCC[C@@H](C(=O)N1CCc2ccccc21)n1nc(-c2ccc(C)cc2)ccc1=O
InChIInChI=1S/C23H23N3O2/c1-3-20(23(28)25-15-14-18-6-4-5-7-21(18)25)26-22(27)13-12-19(24-26)17-10-8-16(2)9-11-17/h4-13,20H,3,14-15H2,1-2H3/t20-/m0/s1
InChIKeyLQJBJBQVFJZYPU-FQEVSTJZSA-N
XLogP3.76
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(3,4-dimethylphenyl)pyridazin-3-one
CID 92735678
2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-5-(4-methylphenyl)-1,2,4-triazin-3-one
CID 95062215
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-(3,4-dimethylphenyl)pyridazin-3-one
CID 7666246
N-[6-(4-chlorophenyl)-2-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-3-oxopyridazin-4-yl]acetamide
CID 95054472
(2R)-N-(2,3-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 92735315
(2S)-N-(2,4-dimethylphenyl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 92735342
[1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl] 2-[5-(4-methylphenyl)tetrazol-2-yl]acetate
CID 46627756
ethyl N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]carbamate
CID 110348137
N-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-2-ethylbutanamide
CID 110348089
(2S)-N-(1,3-benzodioxol-5-yl)-2-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 28622913
[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]-methyl-[(4-methylphenyl)methyl]azanium
CID 8517428
N-[(2S)-1-(2,3-dihydroindol-1-yl)-3-methyl-1-oxobutan-2-yl]-2-(4-methylphenoxy)acetamide
CID 110348963

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(4-methylphenyl)pyridazin-3-one?
The IUPAC name of 2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(4-methylphenyl)pyridazin-3-one (CID 28623198) is 2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(4-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(4-methylphenyl)pyridazin-3-one?
The canonical SMILES for 2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(4-methylphenyl)pyridazin-3-one is CC[C@@H](C(=O)N1CCc2ccccc21)n1nc(-c2ccc(C)cc2)ccc1=O.
What is the InChIKey of 2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(4-methylphenyl)pyridazin-3-one?
The InChIKey is LQJBJBQVFJZYPU-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-3-20(23(28)25-15-14-18-6-4-5-7-21(18)25)26-22(27)13-12-19(24-26)17-10-8-16(2)9-11-17/h4-13,20H,3,14-15H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(4-methylphenyl)pyridazin-3-one?
2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(4-methylphenyl)pyridazin-3-one has a molecular weight of 373.46 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]-6-(4-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 28623198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).