N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanesulfonamide

C19H16N4O3S — CID 164627876

IUPACN-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cnc3n[nH]c(-c4ccc(O)cc4)c3c2)cc1
InChIInChI=1S/C19H16N4O3S/c1-27(25,26)23-15-6-2-12(3-7-15)14-10-17-18(21-22-19(17)20-11-14)13-4-8-16(24)9-5-13/h2-11,23-24H,1H3,(H,20,21,22)
InChIKeySLSDONYZOZOLNU-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.37
Rot. Bonds4

About N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanesulfonamide

N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanesulfonamide (PubChem CID 164627876) has the molecular formula C19H16N4O3S and a molecular weight of 380.43 g/mol. Its IUPAC name is N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanesulfonamide
PubChem CID164627876
Molecular FormulaC19H16N4O3S
Molecular Weight380.43 g/mol
Exact Mass380.09
IUPAC NameN-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(-c2cnc3n[nH]c(-c4ccc(O)cc4)c3c2)cc1
InChIInChI=1S/C19H16N4O3S/c1-27(25,26)23-15-6-2-12(3-7-15)14-10-17-18(21-22-19(17)20-11-14)13-4-8-16(24)9-5-13/h2-11,23-24H,1H3,(H,20,21,22)
InChIKeySLSDONYZOZOLNU-UHFFFAOYSA-N
XLogP3.37
TPSA107.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanesulfonamide (CID 164627876) is N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(-c2cnc3n[nH]c(-c4ccc(O)cc4)c3c2)cc1.
What is the InChIKey of N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanesulfonamide?
The InChIKey is SLSDONYZOZOLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3S/c1-27(25,26)23-15-6-2-12(3-7-15)14-10-17-18(21-22-19(17)20-11-14)13-4-8-16(24)9-5-13/h2-11,23-24H,1H3,(H,20,21,22).
What are the key properties of N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanesulfonamide?
N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanesulfonamide has a molecular weight of 380.43 g/mol, XLogP of 3.37, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 164627876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).