2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid

C10H9ClN4O2 — CID 174213588

IUPAC2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1Cn1ncc2cnc(Cl)nc21
InChIInChI=1S/C10H9ClN4O2/c11-10-12-2-6-3-13-15(8(6)14-10)4-5-1-7(5)9(16)17/h2-3,5,7H,1,4H2,(H,16,17)
InChIKeyWXJWLAPCGFOWGR-UHFFFAOYSA-N
MW252.66 g/mol
LogP1.20
Rot. Bonds3

About 2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid

2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid (PubChem CID 174213588) has the molecular formula C10H9ClN4O2 and a molecular weight of 252.66 g/mol. Its IUPAC name is 2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid
PubChem CID174213588
Molecular FormulaC10H9ClN4O2
Molecular Weight252.66 g/mol
Exact Mass252.04
IUPAC Name2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1Cn1ncc2cnc(Cl)nc21
InChIInChI=1S/C10H9ClN4O2/c11-10-12-2-6-3-13-15(8(6)14-10)4-5-1-7(5)9(16)17/h2-3,5,7H,1,4H2,(H,16,17)
InChIKeyWXJWLAPCGFOWGR-UHFFFAOYSA-N
XLogP1.20
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.66
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid 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-[[(1-Tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]-3-fluorocyclobutane-1-carboxylic acid
CID 166287904
methyl 1-(1-methyl-1H-pyrazolo[3,4-d]pyrimidin-4-yl)piperidine-4-carboxylate
CID 22590075
3-(5,8-Dimethyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl)butanoic acid
CID 68089272
5-(4-Amino-3-iodopyrazolo[3,4-d]pyrimidin-1-yl)pentanoic acid
CID 130365751
Methyl 3-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)-1-methylcyclobutane-1-carboxylate
CID 165171629
Methyl 3-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1-carboxylate
CID 165171718
trans-methyl (1S,3S)-3-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)cyclopentane-1-carboxylate
CID 165171721
cis-methyl (1R,2R)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentane-1-carboxylate
CID 165171789
[3-[(6-Chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclobutyl]methanol
CID 165171794
trans-methyl (1R,2S)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopentane-1-carboxylate
CID 165171851
Methyl 3-(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)cyclobutane-1-carboxylate
CID 165171868
trans-ethyl (1R,2S)-2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopropane-1-carboxylate
CID 165171921

Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid (CID 174213588) is 2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1Cn1ncc2cnc(Cl)nc21.
What is the InChIKey of 2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid?
The InChIKey is WXJWLAPCGFOWGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN4O2/c11-10-12-2-6-3-13-15(8(6)14-10)4-5-1-7(5)9(16)17/h2-3,5,7H,1,4H2,(H,16,17).
What are the key properties of 2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid?
2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid has a molecular weight of 252.66 g/mol, XLogP of 1.20, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 174213588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).