1-phenyl-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one

C17H13N5O — CID 3239866

IUPAC1-phenyl-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccccn1
InChIInChI=1S/C17H13N5O/c23-17-15-10-20-22(14-7-2-1-3-8-14)16(15)19-12-21(17)11-13-6-4-5-9-18-13/h1-10,12H,11H2
InChIKeyOTILRNJWMHEKCN-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.03
Rot. Bonds3

About 1-phenyl-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one

1-phenyl-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 3239866) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 1-phenyl-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-phenyl-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID3239866
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name1-phenyl-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESO=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccccn1
InChIInChI=1S/C17H13N5O/c23-17-15-10-20-22(14-7-2-1-3-8-14)16(15)19-12-21(17)11-13-6-4-5-9-18-13/h1-10,12H,11H2
InChIKeyOTILRNJWMHEKCN-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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-phenyl-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 3239866) is 1-phenyl-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-phenyl-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-phenyl-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one is O=c1c2cnn(-c3ccccc3)c2ncn1Cc1ccccn1.
What is the InChIKey of 1-phenyl-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is OTILRNJWMHEKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c23-17-15-10-20-22(14-7-2-1-3-8-14)16(15)19-12-21(17)11-13-6-4-5-9-18-13/h1-10,12H,11H2.
What are the key properties of 1-phenyl-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-phenyl-5-(pyridin-2-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-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 3239866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).