5-amino-6-anilino-3-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

C24H20N6OS — CID 25067959

IUPAC5-amino-6-anilino-3-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESNn1c(Nc2ccccc2)nc2c(c(SCc3ccccc3)nn2-c2ccccc2)c1=O
InChIInChI=1S/C24H20N6OS/c25-29-23(31)20-21(27-24(29)26-18-12-6-2-7-13-18)30(19-14-8-3-9-15-19)28-22(20)32-16-17-10-4-1-5-11-17/h1-15H,16,25H2,(H,26,27)
InChIKeyFQKCFNZHMCEABO-UHFFFAOYSA-N
MW440.53 g/mol
LogP4.33
Rot. Bonds6

About 5-amino-6-anilino-3-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one

5-amino-6-anilino-3-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (PubChem CID 25067959) has the molecular formula C24H20N6OS and a molecular weight of 440.53 g/mol. Its IUPAC name is 5-amino-6-anilino-3-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-amino-6-anilino-3-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
PubChem CID25067959
Molecular FormulaC24H20N6OS
Molecular Weight440.53 g/mol
Exact Mass440.14
IUPAC Name5-amino-6-anilino-3-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one
SMILESNn1c(Nc2ccccc2)nc2c(c(SCc3ccccc3)nn2-c2ccccc2)c1=O
InChIInChI=1S/C24H20N6OS/c25-29-23(31)20-21(27-24(29)26-18-12-6-2-7-13-18)30(19-14-8-3-9-15-19)28-22(20)32-16-17-10-4-1-5-11-17/h1-15H,16,25H2,(H,26,27)
InChIKeyFQKCFNZHMCEABO-UHFFFAOYSA-N
XLogP4.33
TPSA90.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.53
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-anilino-3-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The IUPAC name of 5-amino-6-anilino-3-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one (CID 25067959) is 5-amino-6-anilino-3-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one.
What is the SMILES notation for 5-amino-6-anilino-3-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The canonical SMILES for 5-amino-6-anilino-3-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is Nn1c(Nc2ccccc2)nc2c(c(SCc3ccccc3)nn2-c2ccccc2)c1=O.
What is the InChIKey of 5-amino-6-anilino-3-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
The InChIKey is FQKCFNZHMCEABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6OS/c25-29-23(31)20-21(27-24(29)26-18-12-6-2-7-13-18)30(19-14-8-3-9-15-19)28-22(20)32-16-17-10-4-1-5-11-17/h1-15H,16,25H2,(H,26,27).
What are the key properties of 5-amino-6-anilino-3-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one?
5-amino-6-anilino-3-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one has a molecular weight of 440.53 g/mol, XLogP of 4.33, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-anilino-3-benzylsulfanyl-1-phenylpyrazolo[5,4-d]pyrimidin-4-one is sourced from PubChem (CID 25067959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).