5-(2-hydroxy-3-propan-2-yloxypropyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C17H20N4O3 — CID 110884817

IUPAC5-(2-hydroxy-3-propan-2-yloxypropyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)OCC(O)Cn1cnc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C17H20N4O3/c1-12(2)24-10-14(22)9-20-11-18-16-15(17(20)23)8-19-21(16)13-6-4-3-5-7-13/h3-8,11-12,14,22H,9-10H2,1-2H3
InChIKeyGYUPNIOPUDLLMO-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.37
Rot. Bonds6

About 5-(2-hydroxy-3-propan-2-yloxypropyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-(2-hydroxy-3-propan-2-yloxypropyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 110884817) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-(2-hydroxy-3-propan-2-yloxypropyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(2-hydroxy-3-propan-2-yloxypropyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID110884817
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name5-(2-hydroxy-3-propan-2-yloxypropyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(C)OCC(O)Cn1cnc2c(cnn2-c2ccccc2)c1=O
InChIInChI=1S/C17H20N4O3/c1-12(2)24-10-14(22)9-20-11-18-16-15(17(20)23)8-19-21(16)13-6-4-3-5-7-13/h3-8,11-12,14,22H,9-10H2,1-2H3
InChIKeyGYUPNIOPUDLLMO-UHFFFAOYSA-N
XLogP1.37
TPSA82.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(2-hydroxy-3-propan-2-yloxypropyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one 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 5-(2-hydroxy-3-propan-2-yloxypropyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-(2-hydroxy-3-propan-2-yloxypropyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 110884817) is 5-(2-hydroxy-3-propan-2-yloxypropyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-(2-hydroxy-3-propan-2-yloxypropyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-(2-hydroxy-3-propan-2-yloxypropyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is CC(C)OCC(O)Cn1cnc2c(cnn2-c2ccccc2)c1=O.
What is the InChIKey of 5-(2-hydroxy-3-propan-2-yloxypropyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is GYUPNIOPUDLLMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-12(2)24-10-14(22)9-20-11-18-16-15(17(20)23)8-19-21(16)13-6-4-3-5-7-13/h3-8,11-12,14,22H,9-10H2,1-2H3.
What are the key properties of 5-(2-hydroxy-3-propan-2-yloxypropyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-(2-hydroxy-3-propan-2-yloxypropyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 328.37 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxy-3-propan-2-yloxypropyl)-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 110884817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).