N-[4-(4-amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)sulfonylphenyl]acetamide

C19H16N6O3S — CID 71522029

IUPACN-[4-(4-amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2nc(-c3ccccc3)c3c(N)ncnc32)cc1
InChIInChI=1S/C19H16N6O3S/c1-12(26)23-14-7-9-15(10-8-14)29(27,28)25-19-16(18(20)21-11-22-19)17(24-25)13-5-3-2-4-6-13/h2-11H,1H3,(H,23,26)(H2,20,21,22)
InChIKeyIWQNGZIIPODAEB-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.27
Rot. Bonds4

About N-[4-(4-amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)sulfonylphenyl]acetamide

N-[4-(4-amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)sulfonylphenyl]acetamide (PubChem CID 71522029) has the molecular formula C19H16N6O3S and a molecular weight of 408.44 g/mol. Its IUPAC name is N-[4-(4-amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)sulfonylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(4-amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)sulfonylphenyl]acetamide
PubChem CID71522029
Molecular FormulaC19H16N6O3S
Molecular Weight408.44 g/mol
Exact Mass408.10
IUPAC NameN-[4-(4-amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)sulfonylphenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)n2nc(-c3ccccc3)c3c(N)ncnc32)cc1
InChIInChI=1S/C19H16N6O3S/c1-12(26)23-14-7-9-15(10-8-14)29(27,28)25-19-16(18(20)21-11-22-19)17(24-25)13-5-3-2-4-6-13/h2-11H,1H3,(H,23,26)(H2,20,21,22)
InChIKeyIWQNGZIIPODAEB-UHFFFAOYSA-N
XLogP2.27
TPSA132.86 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)sulfonylphenyl]acetamide?
The IUPAC name of N-[4-(4-amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)sulfonylphenyl]acetamide (CID 71522029) is N-[4-(4-amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)sulfonylphenyl]acetamide.
What is the SMILES notation for N-[4-(4-amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)sulfonylphenyl]acetamide?
The canonical SMILES for N-[4-(4-amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)sulfonylphenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)n2nc(-c3ccccc3)c3c(N)ncnc32)cc1.
What is the InChIKey of N-[4-(4-amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)sulfonylphenyl]acetamide?
The InChIKey is IWQNGZIIPODAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6O3S/c1-12(26)23-14-7-9-15(10-8-14)29(27,28)25-19-16(18(20)21-11-22-19)17(24-25)13-5-3-2-4-6-13/h2-11H,1H3,(H,23,26)(H2,20,21,22).
What are the key properties of N-[4-(4-amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)sulfonylphenyl]acetamide?
N-[4-(4-amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)sulfonylphenyl]acetamide has a molecular weight of 408.44 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-amino-3-phenylpyrazolo[3,4-d]pyrimidin-1-yl)sulfonylphenyl]acetamide is sourced from PubChem (CID 71522029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).