3-cyclopentyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-hydroxypyrimidin-4-one

C19H21N3O3S — CID 135558023

IUPAC3-cyclopentyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-hydroxypyrimidin-4-one
SMILESO=C(CSc1nc(O)cc(=O)n1C1CCCC1)N1CCc2ccccc21
InChIInChI=1S/C19H21N3O3S/c23-16-11-17(24)22(14-6-2-3-7-14)19(20-16)26-12-18(25)21-10-9-13-5-1-4-8-15(13)21/h1,4-5,8,11,14,23H,2-3,6-7,9-10,12H2
InChIKeyPZOXOLNBOQNFJV-UHFFFAOYSA-N
MW371.46 g/mol
LogP2.75
Rot. Bonds4

About 3-cyclopentyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-hydroxypyrimidin-4-one

3-cyclopentyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-hydroxypyrimidin-4-one (PubChem CID 135558023) has the molecular formula C19H21N3O3S and a molecular weight of 371.46 g/mol. Its IUPAC name is 3-cyclopentyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-hydroxypyrimidin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-hydroxypyrimidin-4-one
PubChem CID135558023
Molecular FormulaC19H21N3O3S
Molecular Weight371.46 g/mol
Exact Mass371.13
IUPAC Name3-cyclopentyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-hydroxypyrimidin-4-one
SMILESO=C(CSc1nc(O)cc(=O)n1C1CCCC1)N1CCc2ccccc21
InChIInChI=1S/C19H21N3O3S/c23-16-11-17(24)22(14-6-2-3-7-14)19(20-16)26-12-18(25)21-10-9-13-5-1-4-8-15(13)21/h1,4-5,8,11,14,23H,2-3,6-7,9-10,12H2
InChIKeyPZOXOLNBOQNFJV-UHFFFAOYSA-N
XLogP2.75
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-cyclopentyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-hydroxypyrimidin-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-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 16516737
2-[[4-cyclohexyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 2404502
2-[(4-cyclohexyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 1169663
2-[[4-cyclopropyl-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 2081573
N-[[4-cyclohexyl-5-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
CID 5056955
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-3-(3,5-dimethylphenyl)quinazolin-4-one
CID 3945450
1-cyclohexyl-6-oxo-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidin-4-olate
CID 1225060
2-(1-cyclopentyl-4-hydroxy-6-oxopyrimidin-2-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 135528096
3-(3-chlorophenyl)-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylquinazolin-4-one
CID 2081724
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 2382799
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-ethyl-3-phenylthieno[2,3-d]pyrimidin-4-one
CID 35476750
(1-cyclohexyl-2,5-dimethylpyrrol-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 134031545

Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-hydroxypyrimidin-4-one?
The IUPAC name of 3-cyclopentyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-hydroxypyrimidin-4-one (CID 135558023) is 3-cyclopentyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-hydroxypyrimidin-4-one.
What is the SMILES notation for 3-cyclopentyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-hydroxypyrimidin-4-one?
The canonical SMILES for 3-cyclopentyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-hydroxypyrimidin-4-one is O=C(CSc1nc(O)cc(=O)n1C1CCCC1)N1CCc2ccccc21.
What is the InChIKey of 3-cyclopentyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-hydroxypyrimidin-4-one?
The InChIKey is PZOXOLNBOQNFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3S/c23-16-11-17(24)22(14-6-2-3-7-14)19(20-16)26-12-18(25)21-10-9-13-5-1-4-8-15(13)21/h1,4-5,8,11,14,23H,2-3,6-7,9-10,12H2.
What are the key properties of 3-cyclopentyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-hydroxypyrimidin-4-one?
3-cyclopentyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-hydroxypyrimidin-4-one has a molecular weight of 371.46 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-6-hydroxypyrimidin-4-one is sourced from PubChem (CID 135558023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).