4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

C17H17N3O2S — CID 7527185

IUPAC4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESO=C(CSc1nc(=O)[nH]c2c1CCC2)N1CCc2ccccc21
InChIInChI=1S/C17H17N3O2S/c21-15(20-9-8-11-4-1-2-7-14(11)20)10-23-16-12-5-3-6-13(12)18-17(22)19-16/h1-2,4,7H,3,5-6,8-10H2,(H,18,19,22)
InChIKeyCTWIIHDOANOTGN-UHFFFAOYSA-N
MW327.41 g/mol
LogP1.94
Rot. Bonds3

About 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one

4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (PubChem CID 7527185) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
PubChem CID7527185
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one
SMILESO=C(CSc1nc(=O)[nH]c2c1CCC2)N1CCc2ccccc21
InChIInChI=1S/C17H17N3O2S/c21-15(20-9-8-11-4-1-2-7-14(11)20)10-23-16-12-5-3-6-13(12)18-17(22)19-16/h1-2,4,7H,3,5-6,8-10H2,(H,18,19,22)
InChIKeyCTWIIHDOANOTGN-UHFFFAOYSA-N
XLogP1.94
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one with MolForge

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-(2-phenylquinazolin-4-yl)sulfanylethanone
CID 3181608
2-(3-aminopyrazin-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 106678772
4-(2-morpholin-4-yl-2-oxoethyl)sulfanyl-5,6,7,8-tetrahydro-1H-quinazolin-2-one
CID 7185506
2-[4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-2-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-1-yl]ethyl-dimethylazanium
CID 7385535
4-amino-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1H-pyrimidin-6-one
CID 135431927
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-4,6-dimethylpyridine-3-carbonitrile
CID 2672568
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 2382799
2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)ethanone
CID 7250926
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]sulfanyl-1-(3-morpholin-4-ylpropyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
CID 26843630
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(3,6-dimethylquinolin-2-yl)sulfanylethanone
CID 1143736
2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-5,7-dimethylquinoline-3-carbonitrile
CID 1450236
1-(2,3-dihydroindol-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 4542631

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The IUPAC name of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one (CID 7527185) is 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is O=C(CSc1nc(=O)[nH]c2c1CCC2)N1CCc2ccccc21.
What is the InChIKey of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
The InChIKey is CTWIIHDOANOTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-15(20-9-8-11-4-1-2-7-14(11)20)10-23-16-12-5-3-6-13(12)18-17(22)19-16/h1-2,4,7H,3,5-6,8-10H2,(H,18,19,22).
What are the key properties of 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one?
4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one has a molecular weight of 327.41 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-1,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 7527185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).