6-(3,5-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine

C14H14N4O2 — CID 141462278

IUPAC6-(3,5-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCOc1cc(OC)cc(-c2ccc3c(N)[nH]nc3n2)c1
InChIInChI=1S/C14H14N4O2/c1-19-9-5-8(6-10(7-9)20-2)12-4-3-11-13(15)17-18-14(11)16-12/h3-7H,1-2H3,(H3,15,16,17,18)
InChIKeyWBCYQHSKFQVBEV-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.22
Rot. Bonds3

About 6-(3,5-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine

6-(3,5-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine (PubChem CID 141462278) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
PubChem CID141462278
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name6-(3,5-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine
SMILESCOc1cc(OC)cc(-c2ccc3c(N)[nH]nc3n2)c1
InChIInChI=1S/C14H14N4O2/c1-19-9-5-8(6-10(7-9)20-2)12-4-3-11-13(15)17-18-14(11)16-12/h3-7H,1-2H3,(H3,15,16,17,18)
InChIKeyWBCYQHSKFQVBEV-UHFFFAOYSA-N
XLogP2.22
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine?
The IUPAC name of 6-(3,5-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine (CID 141462278) is 6-(3,5-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine.
What is the SMILES notation for 6-(3,5-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine?
The canonical SMILES for 6-(3,5-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine is COc1cc(OC)cc(-c2ccc3c(N)[nH]nc3n2)c1.
What is the InChIKey of 6-(3,5-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine?
The InChIKey is WBCYQHSKFQVBEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O2/c1-19-9-5-8(6-10(7-9)20-2)12-4-3-11-13(15)17-18-14(11)16-12/h3-7H,1-2H3,(H3,15,16,17,18).
What are the key properties of 6-(3,5-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine?
6-(3,5-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine has a molecular weight of 270.29 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-3-amine is sourced from PubChem (CID 141462278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).