[3-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclobutyl]methanol

C11H13ClN4O — CID 165171794

IUPAC[3-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclobutyl]methanol
SMILESOCC1CC(Cn2ncc3cnc(Cl)nc32)C1
InChIInChI=1S/C11H13ClN4O/c12-11-13-3-9-4-14-16(10(9)15-11)5-7-1-8(2-7)6-17/h3-4,7-8,17H,1-2,5-6H2
InChIKeyLLPDMTOXPOHGKL-UHFFFAOYSA-N
MW252.70 g/mol
LogP1.50
Rot. Bonds3

About [3-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclobutyl]methanol

[3-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclobutyl]methanol (PubChem CID 165171794) has the molecular formula C11H13ClN4O and a molecular weight of 252.70 g/mol. Its IUPAC name is [3-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclobutyl]methanol.

Molecular Properties

Compound Name[3-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclobutyl]methanol
PubChem CID165171794
Molecular FormulaC11H13ClN4O
Molecular Weight252.70 g/mol
Exact Mass252.08
IUPAC Name[3-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclobutyl]methanol
SMILESOCC1CC(Cn2ncc3cnc(Cl)nc32)C1
InChIInChI=1S/C11H13ClN4O/c12-11-13-3-9-4-14-16(10(9)15-11)5-7-1-8(2-7)6-17/h3-4,7-8,17H,1-2,5-6H2
InChIKeyLLPDMTOXPOHGKL-UHFFFAOYSA-N
XLogP1.50
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclobutyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclobutyl]methanol?
The IUPAC name of [3-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclobutyl]methanol (CID 165171794) is [3-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclobutyl]methanol.
What is the SMILES notation for [3-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclobutyl]methanol?
The canonical SMILES for [3-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclobutyl]methanol is OCC1CC(Cn2ncc3cnc(Cl)nc32)C1.
What is the InChIKey of [3-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclobutyl]methanol?
The InChIKey is LLPDMTOXPOHGKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c12-11-13-3-9-4-14-16(10(9)15-11)5-7-1-8(2-7)6-17/h3-4,7-8,17H,1-2,5-6H2.
What are the key properties of [3-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclobutyl]methanol?
[3-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclobutyl]methanol has a molecular weight of 252.70 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(6-chloropyrazolo[3,4-d]pyrimidin-1-yl)methyl]cyclobutyl]methanol is sourced from PubChem (CID 165171794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).