6-anilino-3-methylsulfanyl-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one

C24H19N5OS — CID 10670063

IUPAC6-anilino-3-methylsulfanyl-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCSc1nn(-c2ccccc2)c2nc(Nc3ccccc3)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C24H19N5OS/c1-31-22-20-21(29(27-22)19-15-9-4-10-16-19)26-24(25-17-11-5-2-6-12-17)28(23(20)30)18-13-7-3-8-14-18/h2-16H,1H3,(H,25,26)
InChIKeyHRQBPNAPYMQVPH-UHFFFAOYSA-N
MW425.52 g/mol
LogP5.04
Rot. Bonds5

About 6-anilino-3-methylsulfanyl-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one

6-anilino-3-methylsulfanyl-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 10670063) has the molecular formula C24H19N5OS and a molecular weight of 425.52 g/mol. Its IUPAC name is 6-anilino-3-methylsulfanyl-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-anilino-3-methylsulfanyl-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID10670063
Molecular FormulaC24H19N5OS
Molecular Weight425.52 g/mol
Exact Mass425.13
IUPAC Name6-anilino-3-methylsulfanyl-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESCSc1nn(-c2ccccc2)c2nc(Nc3ccccc3)n(-c3ccccc3)c(=O)c12
InChIInChI=1S/C24H19N5OS/c1-31-22-20-21(29(27-22)19-15-9-4-10-16-19)26-24(25-17-11-5-2-6-12-17)28(23(20)30)18-13-7-3-8-14-18/h2-16H,1H3,(H,25,26)
InChIKeyHRQBPNAPYMQVPH-UHFFFAOYSA-N
XLogP5.04
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.52
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-anilino-3-methylsulfanyl-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 6-anilino-3-methylsulfanyl-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one (CID 10670063) is 6-anilino-3-methylsulfanyl-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 6-anilino-3-methylsulfanyl-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 6-anilino-3-methylsulfanyl-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one is CSc1nn(-c2ccccc2)c2nc(Nc3ccccc3)n(-c3ccccc3)c(=O)c12.
What is the InChIKey of 6-anilino-3-methylsulfanyl-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is HRQBPNAPYMQVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5OS/c1-31-22-20-21(29(27-22)19-15-9-4-10-16-19)26-24(25-17-11-5-2-6-12-17)28(23(20)30)18-13-7-3-8-14-18/h2-16H,1H3,(H,25,26).
What are the key properties of 6-anilino-3-methylsulfanyl-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one?
6-anilino-3-methylsulfanyl-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 425.52 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-3-methylsulfanyl-1,5-diphenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 10670063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).