1-(4-methylphenyl)sulfonyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine

C18H15N5O2S — CID 71522028

IUPAC1-(4-methylphenyl)sulfonyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)n2nc(-c3ccccc3)c3c(N)ncnc32)cc1
InChIInChI=1S/C18H15N5O2S/c1-12-7-9-14(10-8-12)26(24,25)23-18-15(17(19)20-11-21-18)16(22-23)13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20,21)
InChIKeyXELRKHVOTMGODU-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.62
Rot. Bonds3

About 1-(4-methylphenyl)sulfonyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine

1-(4-methylphenyl)sulfonyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 71522028) has the molecular formula C18H15N5O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID71522028
Molecular FormulaC18H15N5O2S
Molecular Weight365.42 g/mol
Exact Mass365.09
IUPAC Name1-(4-methylphenyl)sulfonyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine
SMILESCc1ccc(S(=O)(=O)n2nc(-c3ccccc3)c3c(N)ncnc32)cc1
InChIInChI=1S/C18H15N5O2S/c1-12-7-9-14(10-8-12)26(24,25)23-18-15(17(19)20-11-21-18)16(22-23)13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20,21)
InChIKeyXELRKHVOTMGODU-UHFFFAOYSA-N
XLogP2.62
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine (CID 71522028) is 1-(4-methylphenyl)sulfonyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine is Cc1ccc(S(=O)(=O)n2nc(-c3ccccc3)c3c(N)ncnc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XELRKHVOTMGODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O2S/c1-12-7-9-14(10-8-12)26(24,25)23-18-15(17(19)20-11-21-18)16(22-23)13-5-3-2-4-6-13/h2-11H,1H3,(H2,19,20,21).
What are the key properties of 1-(4-methylphenyl)sulfonyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine?
1-(4-methylphenyl)sulfonyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 365.42 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-3-phenylpyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 71522028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).