1-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one

C17H13N5O — CID 3155626

IUPAC1-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2ncn1Cc1cccnc1
InChIInChI=1S/C17H13N5O/c23-17-15-10-20-22(14-6-2-1-3-7-14)16(15)19-12-21(17)11-13-5-4-8-18-9-13/h1-10,12H,11H2
InChIKeyJGBLNXMLFYAUQW-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.03
Rot. Bonds3

About 1-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one

1-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 3155626) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID3155626
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name1-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2ncn1Cc1cccnc1
InChIInChI=1S/C17H13N5O/c23-17-15-10-20-22(14-6-2-1-3-7-14)16(15)19-12-21(17)11-13-5-4-8-18-9-13/h1-10,12H,11H2
InChIKeyJGBLNXMLFYAUQW-UHFFFAOYSA-N
XLogP2.03
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-phenyl-5-(pyridin-3-ylmethyl)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

Related Compounds

Osoresnontrine
CID 135908617
1H-Pyrazolo(3,4-d)pyrimidin-4-one, 4,5-dihydro-5-benzyl-1-phenyl-
CID 714182
1,5-dihydro-1-phenyl-4H-pyrazolo(3,4-d)pyrimidin-4-one
CID 135408735
3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-1-[4-(trifluoromethyl)phenyl]urea
CID 135869421
CU-CPT-8m
CID 15042086
(S)-5-((1-(4,4-difluoro-3-(3-fluoro-1H-pyrazol-1-yl)butanoyl)-4-hydroxypiperidin-4-yl)methyl)-1-(4-fluorophenyl)-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one
CID 121457027
5-Allyl-6-benzyl-1-phenyl-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one
CID 722802
6-methyl-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135401776
1-(4-fluorophenyl)-1H,4H,5H-pyrazolo[3,4-d]pyrimidin-4-one
CID 135473046
Dipyridodiazepinone deriv. 34
CID 463554
8-[4-[2-[(4-Fluorophenyl)methyl-Methyl-Amino]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
CID 135567108
3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-1-phenylurea
CID 135869419

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 3155626) is 1-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccccc3)c2ncn1Cc1cccnc1.
What is the InChIKey of 1-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is JGBLNXMLFYAUQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c23-17-15-10-20-22(14-6-2-1-3-7-14)16(15)19-12-21(17)11-13-5-4-8-18-9-13/h1-10,12H,11H2.
What are the key properties of 1-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 303.33 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-(pyridin-3-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 3155626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).