(E)-2-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)ethenesulfonamide

C17H18N4O2S — CID 39344411

IUPAC(E)-2-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)ethenesulfonamide
SMILESCC(C)n1ncc2cc(NS(=O)(=O)/C=C/c3ccccc3)cnc21
InChIInChI=1S/C17H18N4O2S/c1-13(2)21-17-15(11-19-21)10-16(12-18-17)20-24(22,23)9-8-14-6-4-3-5-7-14/h3-13,20H,1-2H3/b9-8+
InChIKeyMLHGZVBGFSRILC-CMDGGOBGSA-N
MW342.42 g/mol
LogP3.42
Rot. Bonds5

About (E)-2-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)ethenesulfonamide

(E)-2-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)ethenesulfonamide (PubChem CID 39344411) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is (E)-2-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-2-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)ethenesulfonamide
PubChem CID39344411
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name(E)-2-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)ethenesulfonamide
SMILESCC(C)n1ncc2cc(NS(=O)(=O)/C=C/c3ccccc3)cnc21
InChIInChI=1S/C17H18N4O2S/c1-13(2)21-17-15(11-19-21)10-16(12-18-17)20-24(22,23)9-8-14-6-4-3-5-7-14/h3-13,20H,1-2H3/b9-8+
InChIKeyMLHGZVBGFSRILC-CMDGGOBGSA-N
XLogP3.42
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (E)-2-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)ethenesulfonamide?
The IUPAC name of (E)-2-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)ethenesulfonamide (CID 39344411) is (E)-2-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)ethenesulfonamide.
What is the SMILES notation for (E)-2-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)ethenesulfonamide?
The canonical SMILES for (E)-2-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)ethenesulfonamide is CC(C)n1ncc2cc(NS(=O)(=O)/C=C/c3ccccc3)cnc21.
What is the InChIKey of (E)-2-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)ethenesulfonamide?
The InChIKey is MLHGZVBGFSRILC-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-13(2)21-17-15(11-19-21)10-16(12-18-17)20-24(22,23)9-8-14-6-4-3-5-7-14/h3-13,20H,1-2H3/b9-8+.
What are the key properties of (E)-2-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)ethenesulfonamide?
(E)-2-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)ethenesulfonamide has a molecular weight of 342.42 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-phenyl-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)ethenesulfonamide is sourced from PubChem (CID 39344411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).