2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol

C26H22N8O — CID 58515158

IUPAC2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol
SMILESNc1ncnc2c1c(-c1cnn(CCO)c1)nn2Cc1cc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C26H22N8O/c27-25-22-24(20-13-30-33(14-20)10-11-35)32-34(26(22)29-16-28-25)15-19-12-18-8-4-5-9-21(18)31-23(19)17-6-2-1-3-7-17/h1-9,12-14,16,35H,10-11,15H2,(H2,27,28,29)
InChIKeyZRMYOWNHQGRHHE-UHFFFAOYSA-N
MW462.52 g/mol
LogP3.53
Rot. Bonds6

About 2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol

2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol (PubChem CID 58515158) has the molecular formula C26H22N8O and a molecular weight of 462.52 g/mol. Its IUPAC name is 2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol
PubChem CID58515158
Molecular FormulaC26H22N8O
Molecular Weight462.52 g/mol
Exact Mass462.19
IUPAC Name2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol
SMILESNc1ncnc2c1c(-c1cnn(CCO)c1)nn2Cc1cc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C26H22N8O/c27-25-22-24(20-13-30-33(14-20)10-11-35)32-34(26(22)29-16-28-25)15-19-12-18-8-4-5-9-21(18)31-23(19)17-6-2-1-3-7-17/h1-9,12-14,16,35H,10-11,15H2,(H2,27,28,29)
InChIKeyZRMYOWNHQGRHHE-UHFFFAOYSA-N
XLogP3.53
TPSA120.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.52
LogP ≤ 53.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-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-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol (CID 58515158) is 2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol is Nc1ncnc2c1c(-c1cnn(CCO)c1)nn2Cc1cc2ccccc2nc1-c1ccccc1.
What is the InChIKey of 2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol?
The InChIKey is ZRMYOWNHQGRHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N8O/c27-25-22-24(20-13-30-33(14-20)10-11-35)32-34(26(22)29-16-28-25)15-19-12-18-8-4-5-9-21(18)31-23(19)17-6-2-1-3-7-17/h1-9,12-14,16,35H,10-11,15H2,(H2,27,28,29).
What are the key properties of 2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol?
2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol has a molecular weight of 462.52 g/mol, XLogP of 3.53, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]pyrazol-1-yl]ethanol is sourced from PubChem (CID 58515158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).