2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide

C18H18ClN5O2S — CID 18561868

IUPAC2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CSc1ncnc2c1cnn2-c1cccc(Cl)c1)NCC1CCCO1
InChIInChI=1S/C18H18ClN5O2S/c19-12-3-1-4-13(7-12)24-17-15(9-23-24)18(22-11-21-17)27-10-16(25)20-8-14-5-2-6-26-14/h1,3-4,7,9,11,14H,2,5-6,8,10H2,(H,20,25)
InChIKeySRLLSAKRUYOCGG-UHFFFAOYSA-N
MW403.90 g/mol
LogP2.86
Rot. Bonds6

About 2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide

2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 18561868) has the molecular formula C18H18ClN5O2S and a molecular weight of 403.90 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
PubChem CID18561868
Molecular FormulaC18H18ClN5O2S
Molecular Weight403.90 g/mol
Exact Mass403.09
IUPAC Name2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(CSc1ncnc2c1cnn2-c1cccc(Cl)c1)NCC1CCCO1
InChIInChI=1S/C18H18ClN5O2S/c19-12-3-1-4-13(7-12)24-17-15(9-23-24)18(22-11-21-17)27-10-16(25)20-8-14-5-2-6-26-14/h1,3-4,7,9,11,14H,2,5-6,8,10H2,(H,20,25)
InChIKeySRLLSAKRUYOCGG-UHFFFAOYSA-N
XLogP2.86
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.90
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide 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

N-tert-butyl-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 859496
N-(oxolan-2-ylmethyl)-2-(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 16312568
[2-(1-Phenyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)-acetylamino]-acetic acid ethyl ester
CID 645281
ethyl 2-(2-((1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)thio)acetamido)acetate
CID 652284
[2-(1-p-Tolyl-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl)-acetylamino]-acetic acid ethyl ester
CID 654950
[1-(4-Chloro-phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ylsulfanyl]-acetic acid ethyl ester
CID 645615
N-(3-chloro-2-methylphenyl)-2-{[1-(2-phenylethyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]sulfanyl}acetamide
CID 993511
2-{[1-(2-Chlorophenyl)pyrazolo[3,4-D]pyrimidin-4-YL]sulfanyl}-N'-(2-methylpropanoyl)acetohydrazide
CID 3193802
1-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 3717380
N-cyclopentyl-2-[1-(4-fluorophenyl)pyrazolo[3,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 7199763
N-(4-morpholin-4-ylphenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropanamide
CID 16303967
N-(1,1-dioxothiolan-3-yl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 16507636

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide (CID 18561868) is 2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide is O=C(CSc1ncnc2c1cnn2-c1cccc(Cl)c1)NCC1CCCO1.
What is the InChIKey of 2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is SRLLSAKRUYOCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2S/c19-12-3-1-4-13(7-12)24-17-15(9-23-24)18(22-11-21-17)27-10-16(25)20-8-14-5-2-6-26-14/h1,3-4,7,9,11,14H,2,5-6,8,10H2,(H,20,25).
What are the key properties of 2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide?
2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 403.90 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 18561868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).