4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzene-1,2-diol

C18H13N3O3 — CID 164625371

IUPAC4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzene-1,2-diol
SMILESOc1ccc(-c2[nH]nc3ncc(-c4ccc(O)c(O)c4)cc23)cc1
InChIInChI=1S/C18H13N3O3/c22-13-4-1-10(2-5-13)17-14-7-12(9-19-18(14)21-20-17)11-3-6-15(23)16(24)8-11/h1-9,22-24H,(H,19,20,21)
InChIKeyQSRKFVZHMMKLIL-UHFFFAOYSA-N
MW319.32 g/mol
LogP3.41
Rot. Bonds2

About 4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzene-1,2-diol

4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzene-1,2-diol (PubChem CID 164625371) has the molecular formula C18H13N3O3 and a molecular weight of 319.32 g/mol. Its IUPAC name is 4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzene-1,2-diol
PubChem CID164625371
Molecular FormulaC18H13N3O3
Molecular Weight319.32 g/mol
Exact Mass319.10
IUPAC Name4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzene-1,2-diol
SMILESOc1ccc(-c2[nH]nc3ncc(-c4ccc(O)c(O)c4)cc23)cc1
InChIInChI=1S/C18H13N3O3/c22-13-4-1-10(2-5-13)17-14-7-12(9-19-18(14)21-20-17)11-3-6-15(23)16(24)8-11/h1-9,22-24H,(H,19,20,21)
InChIKeyQSRKFVZHMMKLIL-UHFFFAOYSA-N
XLogP3.41
TPSA102.26 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(4-Azanyl-1-propan-2-YL-pyrazolo(3,4-D)pyrimidin-3-YL)phenol
CID 24905143
3-Methoxy-4-hydroxybenzaldehyde [1-(phenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazone
CID 3805075
4-[3-(4-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzene-1,2-diol
CID 72792831
FgGpmk1-IN-1
CID 135558907
N-[6-(3,4-dihydroxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 135435009
4-[6-Hydroxy-3-(4-hydroxyphenyl)pyrazolo[1,5-a]pyrimidin-2(1H)-ylidene]cyclohexa-2,5-dien-1-one
CID 135678114
3-((4-amino-1-tert-butyl-1H-pyrazolo(3,4-d)pyrimidin-3-yl)methyl)phenol
CID 16750071
6-amino-4-(3,4-dihydroxyphenyl)-3-methyl-1-phenyl-1H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 4897145
3-(4-amino-1H-pyrazolo[3,4-d]pyrimidin-3-yl)phenol
CID 24905256
5-(4-amino-1-methyl-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenol
CID 24905291
4-[3-(3,4-dihydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]benzene-1,2-diol
CID 72792826
4-(3-phenyl-1H-pyrrolo[2,3-b]pyridin-5-yl)benzene-1,2-diol
CID 72792829

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzene-1,2-diol?
The IUPAC name of 4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzene-1,2-diol (CID 164625371) is 4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzene-1,2-diol?
The canonical SMILES for 4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzene-1,2-diol is Oc1ccc(-c2[nH]nc3ncc(-c4ccc(O)c(O)c4)cc23)cc1.
What is the InChIKey of 4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzene-1,2-diol?
The InChIKey is QSRKFVZHMMKLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3O3/c22-13-4-1-10(2-5-13)17-14-7-12(9-19-18(14)21-20-17)11-3-6-15(23)16(24)8-11/h1-9,22-24H,(H,19,20,21).
What are the key properties of 4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzene-1,2-diol?
4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzene-1,2-diol has a molecular weight of 319.32 g/mol, XLogP of 3.41, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]benzene-1,2-diol is sourced from PubChem (CID 164625371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).