6-methyl-1-phenyl-5-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one

C17H13N5O — CID 2854000

IUPAC6-methyl-1-phenyl-5-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccccn1
InChIInChI=1S/C17H13N5O/c1-12-20-16-14(11-19-22(16)13-7-3-2-4-8-13)17(23)21(12)15-9-5-6-10-18-15/h2-11H,1H3
InChIKeyPHXVCJJPRYVDGI-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.27
Rot. Bonds2

About 6-methyl-1-phenyl-5-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one

6-methyl-1-phenyl-5-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 2854000) has the molecular formula C17H13N5O and a molecular weight of 303.33 g/mol. Its IUPAC name is 6-methyl-1-phenyl-5-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-1-phenyl-5-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID2854000
Molecular FormulaC17H13N5O
Molecular Weight303.33 g/mol
Exact Mass303.11
IUPAC Name6-methyl-1-phenyl-5-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccccn1
InChIInChI=1S/C17H13N5O/c1-12-20-16-14(11-19-22(16)13-7-3-2-4-8-13)17(23)21(12)15-9-5-6-10-18-15/h2-11H,1H3
InChIKeyPHXVCJJPRYVDGI-UHFFFAOYSA-N
XLogP2.27
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1-phenyl-5-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-methyl-1-phenyl-5-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one (CID 2854000) is 6-methyl-1-phenyl-5-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-1-phenyl-5-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-methyl-1-phenyl-5-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one is Cc1nc2c(cnn2-c2ccccc2)c(=O)n1-c1ccccn1.
What is the InChIKey of 6-methyl-1-phenyl-5-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is PHXVCJJPRYVDGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c1-12-20-16-14(11-19-22(16)13-7-3-2-4-8-13)17(23)21(12)15-9-5-6-10-18-15/h2-11H,1H3.
What are the key properties of 6-methyl-1-phenyl-5-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one?
6-methyl-1-phenyl-5-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 303.33 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-phenyl-5-pyridin-2-ylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 2854000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).