2-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile

C20H20N4O3 — CID 47027014

IUPAC2-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
SMILESCC(=O)N1c2ccc(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)cc2CC1C
InChIInChI=1S/C20H20N4O3/c1-11-7-16-8-15(5-6-18(16)24(11)14(4)25)19(26)10-23-20(27)17(9-21)12(2)13(3)22-23/h5-6,8,11H,7,10H2,1-4H3
InChIKeyLCXDEUWPZNUSSM-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.91
Rot. Bonds3

About 2-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile

2-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile (PubChem CID 47027014) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
PubChem CID47027014
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name2-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
SMILESCC(=O)N1c2ccc(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)cc2CC1C
InChIInChI=1S/C20H20N4O3/c1-11-7-16-8-15(5-6-18(16)24(11)14(4)25)19(26)10-23-20(27)17(9-21)12(2)13(3)22-23/h5-6,8,11H,7,10H2,1-4H3
InChIKeyLCXDEUWPZNUSSM-UHFFFAOYSA-N
XLogP1.91
TPSA96.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 47027015
methyl 4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-4-oxobutanoate
CID 82347199
1-(2,5-dimethyl-2,3-dihydroindol-1-yl)ethanone
CID 170151207
1-[(2S)-1-acetyl-2-methyl-2,3-dihydroindol-5-yl]-2-(4-pyrazin-2-ylpiperazin-1-yl)ethanone
CID 51872140
4-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-(methylamino)-4-oxobutanoic acid
CID 82322881
(2S)-1-acetyl-N-[2-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide
CID 92875764
2-(5-cyano-3,4-dimethyl-6-oxopyridazin-1-yl)-N-(2,5-dichlorophenyl)acetamide
CID 8537439
1-acetyl-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 46353471
(2R)-1-acetyl-2-methyl-N-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 92875766
methyl 1-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-3-amino-4-cyanopyrrole-2-carboxylate
CID 168547408
2-[2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 45355191
2-[2-[(3R)-3-(furan-2-yl)-5-(5-methylfuran-2-yl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile
CID 26007153

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile?
The IUPAC name of 2-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile (CID 47027014) is 2-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile.
What is the SMILES notation for 2-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile?
The canonical SMILES for 2-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile is CC(=O)N1c2ccc(C(=O)Cn3nc(C)c(C)c(C#N)c3=O)cc2CC1C.
What is the InChIKey of 2-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile?
The InChIKey is LCXDEUWPZNUSSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-11-7-16-8-15(5-6-18(16)24(11)14(4)25)19(26)10-23-20(27)17(9-21)12(2)13(3)22-23/h5-6,8,11H,7,10H2,1-4H3.
What are the key properties of 2-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile?
2-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile has a molecular weight of 364.41 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)-2-oxoethyl]-5,6-dimethyl-3-oxopyridazine-4-carbonitrile is sourced from PubChem (CID 47027014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).