1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

C17H19N5O — CID 135965609

IUPAC1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(CN3CCC(c4ccccc4)C3)nc21
InChIInChI=1S/C17H19N5O/c1-21-16-14(9-18-21)17(23)20-15(19-16)11-22-8-7-13(10-22)12-5-3-2-4-6-12/h2-6,9,13H,7-8,10-11H2,1H3,(H,19,20,23)
InChIKeyIAMGEYXXNHEMRA-UHFFFAOYSA-N
MW309.37 g/mol
LogP1.65
Rot. Bonds3

About 1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 135965609) has the molecular formula C17H19N5O and a molecular weight of 309.37 g/mol. Its IUPAC name is 1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID135965609
Molecular FormulaC17H19N5O
Molecular Weight309.37 g/mol
Exact Mass309.16
IUPAC Name1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
SMILESCn1ncc2c(=O)[nH]c(CN3CCC(c4ccccc4)C3)nc21
InChIInChI=1S/C17H19N5O/c1-21-16-14(9-18-21)17(23)20-15(19-16)11-22-8-7-13(10-22)12-5-3-2-4-6-12/h2-6,9,13H,7-8,10-11H2,1H3,(H,19,20,23)
InChIKeyIAMGEYXXNHEMRA-UHFFFAOYSA-N
XLogP1.65
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one (CID 135965609) is 1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is Cn1ncc2c(=O)[nH]c(CN3CCC(c4ccccc4)C3)nc21.
What is the InChIKey of 1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is IAMGEYXXNHEMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O/c1-21-16-14(9-18-21)17(23)20-15(19-16)11-22-8-7-13(10-22)12-5-3-2-4-6-12/h2-6,9,13H,7-8,10-11H2,1H3,(H,19,20,23).
What are the key properties of 1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 309.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-[(3-phenylpyrrolidin-1-yl)methyl]-5H-pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 135965609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).