2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenol

C21H20N6O — CID 72549874

IUPAC2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C21H20N6O/c28-19-9-5-4-8-18(19)25-10-12-26(13-11-25)20-17-14-24-27(21(17)23-15-22-20)16-6-2-1-3-7-16/h1-9,14-15,28H,10-13H2
InChIKeyUQYWHYXGIIUVRF-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.85
Rot. Bonds3

About 2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenol

2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenol (PubChem CID 72549874) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenol.

Molecular Properties

Compound Name2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenol
PubChem CID72549874
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenol
SMILESOc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1
InChIInChI=1S/C21H20N6O/c28-19-9-5-4-8-18(19)25-10-12-26(13-11-25)20-17-14-24-27(21(17)23-15-22-20)16-6-2-1-3-7-16/h1-9,14-15,28H,10-13H2
InChIKeyUQYWHYXGIIUVRF-UHFFFAOYSA-N
XLogP2.85
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenol 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-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenol?
The IUPAC name of 2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenol (CID 72549874) is 2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenol.
What is the SMILES notation for 2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenol?
The canonical SMILES for 2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenol is Oc1ccccc1N1CCN(c2ncnc3c2cnn3-c2ccccc2)CC1.
What is the InChIKey of 2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenol?
The InChIKey is UQYWHYXGIIUVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c28-19-9-5-4-8-18(19)25-10-12-26(13-11-25)20-17-14-24-27(21(17)23-15-22-20)16-6-2-1-3-7-16/h1-9,14-15,28H,10-13H2.
What are the key properties of 2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenol?
2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenol has a molecular weight of 372.43 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)piperazin-1-yl]phenol is sourced from PubChem (CID 72549874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).