1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one

C19H17N5O — CID 653837

IUPAC1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2ncc3c(=O)n(Cc4ccccn4)cnc32)cc1C
InChIInChI=1S/C19H17N5O/c1-13-6-7-16(9-14(13)2)24-18-17(10-22-24)19(25)23(12-21-18)11-15-5-3-4-8-20-15/h3-10,12H,11H2,1-2H3
InChIKeyKAHVRZQSGJCABN-UHFFFAOYSA-N
MW331.38 g/mol
LogP2.64
Rot. Bonds3

About 1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one

1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 653837) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID653837
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2ncc3c(=O)n(Cc4ccccn4)cnc32)cc1C
InChIInChI=1S/C19H17N5O/c1-13-6-7-16(9-14(13)2)24-18-17(10-22-24)19(25)23(12-21-18)11-15-5-3-4-8-20-15/h3-10,12H,11H2,1-2H3
InChIKeyKAHVRZQSGJCABN-UHFFFAOYSA-N
XLogP2.64
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 653837) is 1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-n2ncc3c(=O)n(Cc4ccccn4)cnc32)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is KAHVRZQSGJCABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-13-6-7-16(9-14(13)2)24-18-17(10-22-24)19(25)23(12-21-18)11-15-5-3-4-8-20-15/h3-10,12H,11H2,1-2H3.
What are the key properties of 1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 331.38 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-5-(pyridin-2-ylmethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 653837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).