5-[4-[2-(dimethylamino)ethyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one

C24H27N5OS — CID 164615012

IUPAC5-[4-[2-(dimethylamino)ethyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(Sc1nc2c(cnn2C)c(=O)n1-c1ccc(CCN(C)C)cc1)c1ccccc1
InChIInChI=1S/C24H27N5OS/c1-17(19-8-6-5-7-9-19)31-24-26-22-21(16-25-28(22)4)23(30)29(24)20-12-10-18(11-13-20)14-15-27(2)3/h5-13,16-17H,14-15H2,1-4H3
InChIKeyKAVNICGGLWRNAF-UHFFFAOYSA-N
MW433.58 g/mol
LogP4.08
Rot. Bonds7

About 5-[4-[2-(dimethylamino)ethyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one

5-[4-[2-(dimethylamino)ethyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 164615012) has the molecular formula C24H27N5OS and a molecular weight of 433.58 g/mol. Its IUPAC name is 5-[4-[2-(dimethylamino)ethyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-[4-[2-(dimethylamino)ethyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one
PubChem CID164615012
Molecular FormulaC24H27N5OS
Molecular Weight433.58 g/mol
Exact Mass433.19
IUPAC Name5-[4-[2-(dimethylamino)ethyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one
SMILESCC(Sc1nc2c(cnn2C)c(=O)n1-c1ccc(CCN(C)C)cc1)c1ccccc1
InChIInChI=1S/C24H27N5OS/c1-17(19-8-6-5-7-9-19)31-24-26-22-21(16-25-28(22)4)23(30)29(24)20-12-10-18(11-13-20)14-15-27(2)3/h5-13,16-17H,14-15H2,1-4H3
InChIKeyKAVNICGGLWRNAF-UHFFFAOYSA-N
XLogP4.08
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(dimethylamino)ethyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-[4-[2-(dimethylamino)ethyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one (CID 164615012) is 5-[4-[2-(dimethylamino)ethyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-[4-[2-(dimethylamino)ethyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-[4-[2-(dimethylamino)ethyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one is CC(Sc1nc2c(cnn2C)c(=O)n1-c1ccc(CCN(C)C)cc1)c1ccccc1.
What is the InChIKey of 5-[4-[2-(dimethylamino)ethyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is KAVNICGGLWRNAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5OS/c1-17(19-8-6-5-7-9-19)31-24-26-22-21(16-25-28(22)4)23(30)29(24)20-12-10-18(11-13-20)14-15-27(2)3/h5-13,16-17H,14-15H2,1-4H3.
What are the key properties of 5-[4-[2-(dimethylamino)ethyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one?
5-[4-[2-(dimethylamino)ethyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 433.58 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(dimethylamino)ethyl]phenyl]-1-methyl-6-(1-phenylethylsulfanyl)pyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 164615012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).