1-methyl-5-phenyl-6-(1-pyridin-4-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one

C19H17N5OS — CID 164612454

IUPAC1-methyl-5-phenyl-6-(1-pyridin-4-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1ccncc1
InChIInChI=1S/C19H17N5OS/c1-13(14-8-10-20-11-9-14)26-19-22-17-16(12-21-23(17)2)18(25)24(19)15-6-4-3-5-7-15/h3-13H,1-2H3
InChIKeyLEXMHUDIGWGWFU-UHFFFAOYSA-N
MW363.45 g/mol
LogP3.37
Rot. Bonds4

About 1-methyl-5-phenyl-6-(1-pyridin-4-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one

1-methyl-5-phenyl-6-(1-pyridin-4-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 164612454) has the molecular formula C19H17N5OS and a molecular weight of 363.45 g/mol. Its IUPAC name is 1-methyl-5-phenyl-6-(1-pyridin-4-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name1-methyl-5-phenyl-6-(1-pyridin-4-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID164612454
Molecular FormulaC19H17N5OS
Molecular Weight363.45 g/mol
Exact Mass363.12
IUPAC Name1-methyl-5-phenyl-6-(1-pyridin-4-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1ccncc1
InChIInChI=1S/C19H17N5OS/c1-13(14-8-10-20-11-9-14)26-19-22-17-16(12-21-23(17)2)18(25)24(19)15-6-4-3-5-7-15/h3-13H,1-2H3
InChIKeyLEXMHUDIGWGWFU-UHFFFAOYSA-N
XLogP3.37
TPSA65.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.45
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-phenyl-6-(1-pyridin-4-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 1-methyl-5-phenyl-6-(1-pyridin-4-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 164612454) is 1-methyl-5-phenyl-6-(1-pyridin-4-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 1-methyl-5-phenyl-6-(1-pyridin-4-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 1-methyl-5-phenyl-6-(1-pyridin-4-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one is CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccccc1)c1ccncc1.
What is the InChIKey of 1-methyl-5-phenyl-6-(1-pyridin-4-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is LEXMHUDIGWGWFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5OS/c1-13(14-8-10-20-11-9-14)26-19-22-17-16(12-21-23(17)2)18(25)24(19)15-6-4-3-5-7-15/h3-13H,1-2H3.
What are the key properties of 1-methyl-5-phenyl-6-(1-pyridin-4-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one?
1-methyl-5-phenyl-6-(1-pyridin-4-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 363.45 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-phenyl-6-(1-pyridin-4-ylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 164612454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).