5-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one

C23H23N5O3 — CID 146222171

IUPAC5-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccc(Oc4ccccc4)cc3)c2ncn1CC1(O)CCNCC1
InChIInChI=1S/C23H23N5O3/c29-22-20-14-26-28(17-6-8-19(9-7-17)31-18-4-2-1-3-5-18)21(20)25-16-27(22)15-23(30)10-12-24-13-11-23/h1-9,14,16,24,30H,10-13,15H2
InChIKeyIRCGBFYANIJCES-UHFFFAOYSA-N
MW417.47 g/mol
LogP2.49
Rot. Bonds5

About 5-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one

5-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 146222171) has the molecular formula C23H23N5O3 and a molecular weight of 417.47 g/mol. Its IUPAC name is 5-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID146222171
Molecular FormulaC23H23N5O3
Molecular Weight417.47 g/mol
Exact Mass417.18
IUPAC Name5-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccc(Oc4ccccc4)cc3)c2ncn1CC1(O)CCNCC1
InChIInChI=1S/C23H23N5O3/c29-22-20-14-26-28(17-6-8-19(9-7-17)31-18-4-2-1-3-5-18)21(20)25-16-27(22)15-23(30)10-12-24-13-11-23/h1-9,14,16,24,30H,10-13,15H2
InChIKeyIRCGBFYANIJCES-UHFFFAOYSA-N
XLogP2.49
TPSA94.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 5-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[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-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 146222171) is 5-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccc(Oc4ccccc4)cc3)c2ncn1CC1(O)CCNCC1.
What is the InChIKey of 5-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IRCGBFYANIJCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O3/c29-22-20-14-26-28(17-6-8-19(9-7-17)31-18-4-2-1-3-5-18)21(20)25-16-27(22)15-23(30)10-12-24-13-11-23/h1-9,14,16,24,30H,10-13,15H2.
What are the key properties of 5-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 417.47 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-hydroxypiperidin-4-yl)methyl]-1-(4-phenoxyphenyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 146222171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).