1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one

C20H25N5O — CID 7243885

IUPAC1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2ncc3c(=O)n(CCN4CCCCC4)cnc32)c(C)c1
InChIInChI=1S/C20H25N5O/c1-15-6-7-18(16(2)12-15)25-19-17(13-22-25)20(26)24(14-21-19)11-10-23-8-4-3-5-9-23/h6-7,12-14H,3-5,8-11H2,1-2H3
InChIKeyYVLMFDSQICQITC-UHFFFAOYSA-N
MW351.45 g/mol
LogP2.68
Rot. Bonds4

About 1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one

1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 7243885) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID7243885
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCc1ccc(-n2ncc3c(=O)n(CCN4CCCCC4)cnc32)c(C)c1
InChIInChI=1S/C20H25N5O/c1-15-6-7-18(16(2)12-15)25-19-17(13-22-25)20(26)24(14-21-19)11-10-23-8-4-3-5-9-23/h6-7,12-14H,3-5,8-11H2,1-2H3
InChIKeyYVLMFDSQICQITC-UHFFFAOYSA-N
XLogP2.68
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 7243885) is 1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one is Cc1ccc(-n2ncc3c(=O)n(CCN4CCCCC4)cnc32)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is YVLMFDSQICQITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-15-6-7-18(16(2)12-15)25-19-17(13-22-25)20(26)24(14-21-19)11-10-23-8-4-3-5-9-23/h6-7,12-14H,3-5,8-11H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 351.45 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-5-(2-piperidin-1-ylethyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 7243885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).