2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-7-methylpyrido[1,2-a][1,3,5]triazin-4-one

C18H16N4O2S — CID 7256705

IUPAC2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-7-methylpyrido[1,2-a][1,3,5]triazin-4-one
SMILESCc1ccc2nc(SCC(=O)N3CCc4ccccc43)nc(=O)n2c1
InChIInChI=1S/C18H16N4O2S/c1-12-6-7-15-19-17(20-18(24)22(15)10-12)25-11-16(23)21-9-8-13-4-2-3-5-14(13)21/h2-7,10H,8-9,11H2,1H3
InChIKeyAOYARMKOUAABIZ-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.08
Rot. Bonds3

About 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-7-methylpyrido[1,2-a][1,3,5]triazin-4-one

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-7-methylpyrido[1,2-a][1,3,5]triazin-4-one (PubChem CID 7256705) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-7-methylpyrido[1,2-a][1,3,5]triazin-4-one.

Molecular Properties

Compound Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-7-methylpyrido[1,2-a][1,3,5]triazin-4-one
PubChem CID7256705
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC Name2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-7-methylpyrido[1,2-a][1,3,5]triazin-4-one
SMILESCc1ccc2nc(SCC(=O)N3CCc4ccccc43)nc(=O)n2c1
InChIInChI=1S/C18H16N4O2S/c1-12-6-7-15-19-17(20-18(24)22(15)10-12)25-11-16(23)21-9-8-13-4-2-3-5-14(13)21/h2-7,10H,8-9,11H2,1H3
InChIKeyAOYARMKOUAABIZ-UHFFFAOYSA-N
XLogP2.08
TPSA67.57 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-7-methylpyrido[1,2-a][1,3,5]triazin-4-one 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

2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-8-methylpyrido[1,2-a][1,3,5]triazin-4-one
CID 7259108
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-9-methylpyrido[1,2-a][1,3,5]triazin-4-one
CID 7259274
1-(2,3-dihydroindol-1-yl)-2-(4-methylpyrimidin-2-yl)sulfanylethanone
CID 712214
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3,5-dimethylphenyl)quinazolin-4-one
CID 3945450
5-(2,3-dihydroindole-1-carbonyl)-6,12-dimethyl-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 84818962
1-(2,3-dihydroindol-1-yl)-2-[1-(4-methylphenyl)benzimidazol-2-yl]sulfanylethanone
CID 7855887
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 2382799
1-(2,3-dihydroindol-1-yl)-2-[[5-[(2,5-dimethylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 2394421
1-(2,3-dihydroindol-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 4542631
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 7250926
N-(4-methoxyphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256725
2-benzhydrylsulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 18275650

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-7-methylpyrido[1,2-a][1,3,5]triazin-4-one?
The IUPAC name of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-7-methylpyrido[1,2-a][1,3,5]triazin-4-one (CID 7256705) is 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-7-methylpyrido[1,2-a][1,3,5]triazin-4-one.
What is the SMILES notation for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-7-methylpyrido[1,2-a][1,3,5]triazin-4-one?
The canonical SMILES for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-7-methylpyrido[1,2-a][1,3,5]triazin-4-one is Cc1ccc2nc(SCC(=O)N3CCc4ccccc43)nc(=O)n2c1.
What is the InChIKey of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-7-methylpyrido[1,2-a][1,3,5]triazin-4-one?
The InChIKey is AOYARMKOUAABIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-12-6-7-15-19-17(20-18(24)22(15)10-12)25-11-16(23)21-9-8-13-4-2-3-5-14(13)21/h2-7,10H,8-9,11H2,1H3.
What are the key properties of 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-7-methylpyrido[1,2-a][1,3,5]triazin-4-one?
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-7-methylpyrido[1,2-a][1,3,5]triazin-4-one has a molecular weight of 352.42 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-7-methylpyrido[1,2-a][1,3,5]triazin-4-one is sourced from PubChem (CID 7256705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).