2-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one

C16H17N3O3S — CID 23859710

IUPAC2-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCC(Sc1nc(O)cc(=O)[nH]1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C16H17N3O3S/c1-2-12(23-16-17-13(20)9-14(21)18-16)15(22)19-8-7-10-5-3-4-6-11(10)19/h3-6,9,12H,2,7-8H2,1H3,(H2,17,18,20,21)
InChIKeyUJJKSZNPWWJDFR-UHFFFAOYSA-N
MW331.40 g/mol
LogP1.94
Rot. Bonds4

About 2-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one

2-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one (PubChem CID 23859710) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is 2-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one
PubChem CID23859710
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC Name2-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one
SMILESCCC(Sc1nc(O)cc(=O)[nH]1)C(=O)N1CCc2ccccc21
InChIInChI=1S/C16H17N3O3S/c1-2-12(23-16-17-13(20)9-14(21)18-16)15(22)19-8-7-10-5-3-4-6-11(10)19/h3-6,9,12H,2,7-8H2,1H3,(H2,17,18,20,21)
InChIKeyUJJKSZNPWWJDFR-UHFFFAOYSA-N
XLogP1.94
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-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-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 135720239
1-(2,3-dihydroindol-1-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butan-1-one
CID 23999264
(2S)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propan-2-yl-2H-imidazo[1,2-c]quinazolin-3-one
CID 92750828
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)butan-1-one
CID 23773389
1-(2,3-dihydroindol-1-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propan-1-one
CID 4819310
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(5H-[1,2,4]triazino[5,6-b]indol-3-ylsulfanyl)butan-1-one
CID 23802550
(2S)-2-benzyl-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 92751138
2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 42885304
2-amino-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 20806588
5-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 50798517
(2R)-5-[(2S)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 92750917
(2R)-5-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-2-propyl-2H-imidazo[1,2-c]quinazolin-3-one
CID 92750919

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one?
The IUPAC name of 2-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one (CID 23859710) is 2-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one is CCC(Sc1nc(O)cc(=O)[nH]1)C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one?
The InChIKey is UJJKSZNPWWJDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-2-12(23-16-17-13(20)9-14(21)18-16)15(22)19-8-7-10-5-3-4-6-11(10)19/h3-6,9,12H,2,7-8H2,1H3,(H2,17,18,20,21).
What are the key properties of 2-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one?
2-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one has a molecular weight of 331.40 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,3-dihydroindol-1-yl)-1-oxobutan-2-yl]sulfanyl-4-hydroxy-1H-pyrimidin-6-one is sourced from PubChem (CID 23859710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).