2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol

C15H16ClN5O — CID 86774024

IUPAC2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
SMILESOCCn1ncc2c(NCCc3ccc(Cl)cc3)ncnc21
InChIInChI=1S/C15H16ClN5O/c16-12-3-1-11(2-4-12)5-6-17-14-13-9-20-21(7-8-22)15(13)19-10-18-14/h1-4,9-10,22H,5-8H2,(H,17,18,19)
InChIKeyVJDYNMFSEBSZSK-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.13
Rot. Bonds6

About 2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol

2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol (PubChem CID 86774024) has the molecular formula C15H16ClN5O and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
PubChem CID86774024
Molecular FormulaC15H16ClN5O
Molecular Weight317.78 g/mol
Exact Mass317.10
IUPAC Name2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol
SMILESOCCn1ncc2c(NCCc3ccc(Cl)cc3)ncnc21
InChIInChI=1S/C15H16ClN5O/c16-12-3-1-11(2-4-12)5-6-17-14-13-9-20-21(7-8-22)15(13)19-10-18-14/h1-4,9-10,22H,5-8H2,(H,17,18,19)
InChIKeyVJDYNMFSEBSZSK-UHFFFAOYSA-N
XLogP2.13
TPSA75.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol 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 2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
The IUPAC name of 2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol (CID 86774024) is 2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol.
What is the SMILES notation for 2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
The canonical SMILES for 2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol is OCCn1ncc2c(NCCc3ccc(Cl)cc3)ncnc21.
What is the InChIKey of 2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
The InChIKey is VJDYNMFSEBSZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O/c16-12-3-1-11(2-4-12)5-6-17-14-13-9-20-21(7-8-22)15(13)19-10-18-14/h1-4,9-10,22H,5-8H2,(H,17,18,19).
What are the key properties of 2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol?
2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol has a molecular weight of 317.78 g/mol, XLogP of 2.13, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(4-chlorophenyl)ethylamino]pyrazolo[3,4-d]pyrimidin-1-yl]ethanol is sourced from PubChem (CID 86774024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).