4-[(2-chlorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

C20H18ClN3OS — CID 18581427

IUPAC4-[(2-chlorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESO=c1nc(SCc2ccccc2Cl)c2c(n1Cc1ccncc1)CCC2
InChIInChI=1S/C20H18ClN3OS/c21-17-6-2-1-4-15(17)13-26-19-16-5-3-7-18(16)24(20(25)23-19)12-14-8-10-22-11-9-14/h1-2,4,6,8-11H,3,5,7,12-13H2
InChIKeyGGIFZSAIUDFRJW-UHFFFAOYSA-N
MW383.90 g/mol
LogP4.12
Rot. Bonds5

About 4-[(2-chlorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one

4-[(2-chlorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (PubChem CID 18581427) has the molecular formula C20H18ClN3OS and a molecular weight of 383.90 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
PubChem CID18581427
Molecular FormulaC20H18ClN3OS
Molecular Weight383.90 g/mol
Exact Mass383.09
IUPAC Name4-[(2-chlorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one
SMILESO=c1nc(SCc2ccccc2Cl)c2c(n1Cc1ccncc1)CCC2
InChIInChI=1S/C20H18ClN3OS/c21-17-6-2-1-4-15(17)13-26-19-16-5-3-7-18(16)24(20(25)23-19)12-14-8-10-22-11-9-14/h1-2,4,6,8-11H,3,5,7,12-13H2
InChIKeyGGIFZSAIUDFRJW-UHFFFAOYSA-N
XLogP4.12
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.90
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2-chlorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-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

3-(4-Chlorophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 2731884
3-(3-Chlorophenyl)-2-pyridin-3-yl-1,3-thiazolidin-4-one
CID 3293548
3-(4-Chlorobenzyl)-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731954
2-(3-(4-Chlorophenyl)pyridin-4-yl)-3-isobutylthiazolidin-4-one
CID 44430922
3-(2,4-Dichlorobenzyl)-2-(3-pyridyl)-1,3-thiazolan-4-one
CID 2731953
1-{[(2-Chlorobenzyl)thio]acetyl}-4-pyridin-2-ylpiperazine
CID 3238035
1-{3-[(2-Chlorobenzyl)thio]propanoyl}-4-pyridin-2-ylpiperazine
CID 4988117
2-[(2-chloro-6-fluorobenzyl)thio]-N-(4-pyridinylmethyl)acetamide
CID 2229106
2-(2-(4-Chlorophenyl)pyridin-3-yl)-3-isobutylthiazolidin-4-one
CID 44430930
N-(3-chlorophenyl)-2-((2-oxo-1-(pyridin-2-ylmethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 16032886
2-(2,6-Dichlorophenyl)-3-(4-pyridyl)thiazolidin-4-one
CID 501029
N-(3-chloro-2-methylphenyl)-2-((2-oxo-1-(pyridin-2-ylmethyl)-2,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidin-4-yl)thio)acetamide
CID 16032808

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The IUPAC name of 4-[(2-chlorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one (CID 18581427) is 4-[(2-chlorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one.
What is the SMILES notation for 4-[(2-chlorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The canonical SMILES for 4-[(2-chlorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is O=c1nc(SCc2ccccc2Cl)c2c(n1Cc1ccncc1)CCC2.
What is the InChIKey of 4-[(2-chlorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
The InChIKey is GGIFZSAIUDFRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3OS/c21-17-6-2-1-4-15(17)13-26-19-16-5-3-7-18(16)24(20(25)23-19)12-14-8-10-22-11-9-14/h1-2,4,6,8-11H,3,5,7,12-13H2.
What are the key properties of 4-[(2-chlorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one?
4-[(2-chlorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one has a molecular weight of 383.90 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methylsulfanyl]-1-(pyridin-4-ylmethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-one is sourced from PubChem (CID 18581427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).