2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol

C15H16ClN5O2 — CID 866541

IUPAC2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1ncnc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN5O2/c16-11-1-3-12(4-2-11)21-15-13(9-19-21)14(17-10-18-15)20(5-7-22)6-8-23/h1-4,9-10,22-23H,5-8H2
InChIKeyOLOTUEPQRXPVRQ-UHFFFAOYSA-N
MW333.78 g/mol
LogP1.26
Rot. Bonds6

About 2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol

2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 866541) has the molecular formula C15H16ClN5O2 and a molecular weight of 333.78 g/mol. Its IUPAC name is 2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
PubChem CID866541
Molecular FormulaC15H16ClN5O2
Molecular Weight333.78 g/mol
Exact Mass333.10
IUPAC Name2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol
SMILESOCCN(CCO)c1ncnc2c1cnn2-c1ccc(Cl)cc1
InChIInChI=1S/C15H16ClN5O2/c16-11-1-3-12(4-2-11)21-15-13(9-19-21)14(17-10-18-15)20(5-7-22)6-8-23/h1-4,9-10,22-23H,5-8H2
InChIKeyOLOTUEPQRXPVRQ-UHFFFAOYSA-N
XLogP1.26
TPSA87.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol (CID 866541) is 2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol is OCCN(CCO)c1ncnc2c1cnn2-c1ccc(Cl)cc1.
What is the InChIKey of 2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is OLOTUEPQRXPVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN5O2/c16-11-1-3-12(4-2-11)21-15-13(9-19-21)14(17-10-18-15)20(5-7-22)6-8-23/h1-4,9-10,22-23H,5-8H2.
What are the key properties of 2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol?
2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 333.78 g/mol, XLogP of 1.26, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(4-chlorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 866541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).