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

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Related Compounds

5-[(4-hydroxypiperidin-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 146222123
4-[[1-(4-fluorophenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]methyl]-4-hydroxypiperidine-1-carboxylic acid
CID 121436691
5-[[1-(4-fluorobenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436212
6-[(4-hydroxypiperidin-4-yl)methyl]-3-phenyltriazolo[4,5-d]pyrimidin-7-one
CID 139415060
5-[[1-(2,5-dimethoxybenzoyl)-4-hydroxypiperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436830
1-(4-fluorophenyl)-5-[[1-[(2-fluorophenyl)methyl]-4-hydroxypiperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 162652494
1-tert-butyl-5-[[4-hydroxy-1-(4-phenoxybenzoyl)piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121435958
5-[[4-hydroxy-1-[4-(1-hydroxycyclopropyl)benzoyl]piperidin-4-yl]methyl]-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
CID 121436309
5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-1-[4-(4-pyrrolidin-3-yloxyphenyl)phenyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436003
[4-[4-hydroxy-4-[(4-oxo-1-phenylpyrazolo[5,4-d]pyrimidin-5-yl)methyl]piperidine-1-carbonyl]phenyl]boronic acid
CID 131748506
1-[4-[5-[[1-(cyclopropanecarbonyl)-4-hydroxypiperidin-4-yl]methyl]-4-oxopyrazolo[5,4-d]pyrimidin-1-yl]phenyl]-3-phenylurea
CID 121436042
1-(4-fluorophenyl)-5-[[4-hydroxy-1-[(3R)-pyrrolidine-3-carbonyl]piperidin-4-yl]methyl]pyrazolo[5,4-d]pyrimidin-4-one
CID 121436765

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).