4-(4-methoxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine

C18H14N4O — CID 155569359

IUPAC4-(4-methoxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(-c2ccnc3n[nH]c(-c4ccncc4)c23)cc1
InChIInChI=1S/C18H14N4O/c1-23-14-4-2-12(3-5-14)15-8-11-20-18-16(15)17(21-22-18)13-6-9-19-10-7-13/h2-11H,1H3,(H,20,21,22)
InChIKeyLXMINJFFNMUYIW-UHFFFAOYSA-N
MW302.34 g/mol
LogP3.70
Rot. Bonds3

About 4-(4-methoxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine

4-(4-methoxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 155569359) has the molecular formula C18H14N4O and a molecular weight of 302.34 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
PubChem CID155569359
Molecular FormulaC18H14N4O
Molecular Weight302.34 g/mol
Exact Mass302.12
IUPAC Name4-(4-methoxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(-c2ccnc3n[nH]c(-c4ccncc4)c23)cc1
InChIInChI=1S/C18H14N4O/c1-23-14-4-2-12(3-5-14)15-8-11-20-18-16(15)17(21-22-18)13-6-9-19-10-7-13/h2-11H,1H3,(H,20,21,22)
InChIKeyLXMINJFFNMUYIW-UHFFFAOYSA-N
XLogP3.70
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 4-(4-methoxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine (CID 155569359) is 4-(4-methoxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 4-(4-methoxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 4-(4-methoxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine is COc1ccc(-c2ccnc3n[nH]c(-c4ccncc4)c23)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is LXMINJFFNMUYIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O/c1-23-14-4-2-12(3-5-14)15-8-11-20-18-16(15)17(21-22-18)13-6-9-19-10-7-13/h2-11H,1H3,(H,20,21,22).
What are the key properties of 4-(4-methoxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine?
4-(4-methoxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 302.34 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-3-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 155569359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).