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

C23H25N5OS — CID 164619896

IUPAC5-[4-[(dimethylamino)methyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(Sc1nc2c(cnn2C)c(=O)n1-c1ccc(CN(C)C)cc1)c1ccccc1
InChIInChI=1S/C23H25N5OS/c1-16(18-8-6-5-7-9-18)30-23-25-21-20(14-24-27(21)4)22(29)28(23)19-12-10-17(11-13-19)15-26(2)3/h5-14,16H,15H2,1-4H3
InChIKeyWIQXOGXDHADXSI-UHFFFAOYSA-N
MW419.55 g/mol
LogP4.03
Rot. Bonds6

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

5-[4-[(dimethylamino)methyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 164619896) has the molecular formula C23H25N5OS and a molecular weight of 419.55 g/mol. Its IUPAC name is 5-[4-[(dimethylamino)methyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[4-[(dimethylamino)methyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID164619896
Molecular FormulaC23H25N5OS
Molecular Weight419.55 g/mol
Exact Mass419.18
IUPAC Name5-[4-[(dimethylamino)methyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(Sc1nc2c(cnn2C)c(=O)n1-c1ccc(CN(C)C)cc1)c1ccccc1
InChIInChI=1S/C23H25N5OS/c1-16(18-8-6-5-7-9-18)30-23-25-21-20(14-24-27(21)4)22(29)28(23)19-12-10-17(11-13-19)15-26(2)3/h5-14,16H,15H2,1-4H3
InChIKeyWIQXOGXDHADXSI-UHFFFAOYSA-N
XLogP4.03
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[(dimethylamino)methyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[4-[(dimethylamino)methyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 164619896) is 5-[4-[(dimethylamino)methyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[4-[(dimethylamino)methyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[4-[(dimethylamino)methyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one is CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccc(CN(C)C)cc1)c1ccccc1.
What is the InChIKey of 5-[4-[(dimethylamino)methyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is WIQXOGXDHADXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5OS/c1-16(18-8-6-5-7-9-18)30-23-25-21-20(14-24-27(21)4)22(29)28(23)19-12-10-17(11-13-19)15-26(2)3/h5-14,16H,15H2,1-4H3.
What are the key properties of 5-[4-[(dimethylamino)methyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-[4-[(dimethylamino)methyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 419.55 g/mol, XLogP of 4.03, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(dimethylamino)methyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 164619896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).