2-[4-(4-amino-2-fluorophenoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]ethanol

C14H13FN4O2 — CID 68516164

IUPAC2-[4-(4-amino-2-fluorophenoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]ethanol
SMILESNc1ccc(Oc2ccnc3n[nH]c(CCO)c23)c(F)c1
InChIInChI=1S/C14H13FN4O2/c15-9-7-8(16)1-2-11(9)21-12-3-5-17-14-13(12)10(4-6-20)18-19-14/h1-3,5,7,20H,4,6,16H2,(H,17,18,19)
InChIKeyUQCFDESQRYKBMB-UHFFFAOYSA-N
MW288.28 g/mol
LogP2.01
Rot. Bonds4

About 2-[4-(4-amino-2-fluorophenoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]ethanol

2-[4-(4-amino-2-fluorophenoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]ethanol (PubChem CID 68516164) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 2-[4-(4-amino-2-fluorophenoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]ethanol.

Molecular Properties

Compound Name2-[4-(4-amino-2-fluorophenoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]ethanol
PubChem CID68516164
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name2-[4-(4-amino-2-fluorophenoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]ethanol
SMILESNc1ccc(Oc2ccnc3n[nH]c(CCO)c23)c(F)c1
InChIInChI=1S/C14H13FN4O2/c15-9-7-8(16)1-2-11(9)21-12-3-5-17-14-13(12)10(4-6-20)18-19-14/h1-3,5,7,20H,4,6,16H2,(H,17,18,19)
InChIKeyUQCFDESQRYKBMB-UHFFFAOYSA-N
XLogP2.01
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-amino-2-fluorophenoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]ethanol?
The IUPAC name of 2-[4-(4-amino-2-fluorophenoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]ethanol (CID 68516164) is 2-[4-(4-amino-2-fluorophenoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]ethanol.
What is the SMILES notation for 2-[4-(4-amino-2-fluorophenoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]ethanol?
The canonical SMILES for 2-[4-(4-amino-2-fluorophenoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]ethanol is Nc1ccc(Oc2ccnc3n[nH]c(CCO)c23)c(F)c1.
What is the InChIKey of 2-[4-(4-amino-2-fluorophenoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]ethanol?
The InChIKey is UQCFDESQRYKBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c15-9-7-8(16)1-2-11(9)21-12-3-5-17-14-13(12)10(4-6-20)18-19-14/h1-3,5,7,20H,4,6,16H2,(H,17,18,19).
What are the key properties of 2-[4-(4-amino-2-fluorophenoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]ethanol?
2-[4-(4-amino-2-fluorophenoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]ethanol has a molecular weight of 288.28 g/mol, XLogP of 2.01, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-amino-2-fluorophenoxy)-2H-pyrazolo[3,4-b]pyridin-3-yl]ethanol is sourced from PubChem (CID 68516164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).