2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)acetamide

C16H16ClN5O3 — CID 3227800

IUPAC2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O
InChIInChI=1S/C16H16ClN5O3/c1-25-7-6-18-14(23)9-21-10-19-15-11(16(21)24)8-20-22(15)13-5-3-2-4-12(13)17/h2-5,8,10H,6-7,9H2,1H3,(H,18,23)
InChIKeyXZKMBWCYDYNBAU-UHFFFAOYSA-N
MW361.79 g/mol
LogP1.00
Rot. Bonds6

About 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)acetamide

2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)acetamide (PubChem CID 3227800) has the molecular formula C16H16ClN5O3 and a molecular weight of 361.79 g/mol. Its IUPAC name is 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)acetamide.

Molecular Properties

Compound Name2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)acetamide
PubChem CID3227800
Molecular FormulaC16H16ClN5O3
Molecular Weight361.79 g/mol
Exact Mass361.09
IUPAC Name2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)acetamide
SMILESCOCCNC(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O
InChIInChI=1S/C16H16ClN5O3/c1-25-7-6-18-14(23)9-21-10-19-15-11(16(21)24)8-20-22(15)13-5-3-2-4-12(13)17/h2-5,8,10H,6-7,9H2,1H3,(H,18,23)
InChIKeyXZKMBWCYDYNBAU-UHFFFAOYSA-N
XLogP1.00
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.79
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)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

Bay 73-6691
CID 135541419
BAY 73-6691 racemate
CID 135495130
1-(2-Chlorophenyl)-1,5-dihydro-6-((2S)-3,3,3-trifluoro-2-methylpropyl)-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135566505
N-(2-methoxyethyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetamide
CID 3227789
methyl (4-oxo-1-phenyl-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl)acetate
CID 6620190
N-(4-acetamidophenyl)-2-(1-(tert-butyl)-4-oxo-1H-pyrazolo[3,4-d]pyrimidin-5(4H)-yl)acetamide
CID 3242942
1-(4-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135465285
1-(3-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-ol
CID 135399103
Pyrazolo[3,4-d]pyrimidin-4-one deriv. 10k
CID 135402919
2-[1-(2-Chloro-phenyl)-4-oxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl]-N,N-dimethyl-acetamide
CID 648379
Ethyl 2-[[2-[1-(4-methylphenyl)-4-oxopyrazolo[3,4-d]pyrimidin-5-yl]acetyl]amino]acetate
CID 3155630
methyl 2-[1-(4-chlorophenyl)-4-oxo-1,4-dihydro-5H-pyrazolo[3,4-d]pyrimidin-5-yl]butanoate
CID 3240514

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)acetamide?
The IUPAC name of 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)acetamide (CID 3227800) is 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)acetamide.
What is the SMILES notation for 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)acetamide?
The canonical SMILES for 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)acetamide is COCCNC(=O)Cn1cnc2c(cnn2-c2ccccc2Cl)c1=O.
What is the InChIKey of 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)acetamide?
The InChIKey is XZKMBWCYDYNBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN5O3/c1-25-7-6-18-14(23)9-21-10-19-15-11(16(21)24)8-20-22(15)13-5-3-2-4-12(13)17/h2-5,8,10H,6-7,9H2,1H3,(H,18,23).
What are the key properties of 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)acetamide?
2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)acetamide has a molecular weight of 361.79 g/mol, XLogP of 1.00, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]-N-(2-methoxyethyl)acetamide is sourced from PubChem (CID 3227800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).