5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine

C21H19N3O3 — CID 164627590

IUPAC5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(-c2[nH]nc3ncc(-c4ccc(OC)c(OC)c4)cc23)cc1
InChIInChI=1S/C21H19N3O3/c1-25-16-7-4-13(5-8-16)20-17-10-15(12-22-21(17)24-23-20)14-6-9-18(26-2)19(11-14)27-3/h4-12H,1-3H3,(H,22,23,24)
InChIKeyXJAODSOFFLOIKC-UHFFFAOYSA-N
MW361.40 g/mol
LogP4.32
Rot. Bonds5

About 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine

5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 164627590) has the molecular formula C21H19N3O3 and a molecular weight of 361.40 g/mol. Its IUPAC name is 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID164627590
Molecular FormulaC21H19N3O3
Molecular Weight361.40 g/mol
Exact Mass361.14
IUPAC Name5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOc1ccc(-c2[nH]nc3ncc(-c4ccc(OC)c(OC)c4)cc23)cc1
InChIInChI=1S/C21H19N3O3/c1-25-16-7-4-13(5-8-16)20-17-10-15(12-22-21(17)24-23-20)14-6-9-18(26-2)19(11-14)27-3/h4-12H,1-3H3,(H,22,23,24)
InChIKeyXJAODSOFFLOIKC-UHFFFAOYSA-N
XLogP4.32
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine (CID 164627590) is 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine is COc1ccc(-c2[nH]nc3ncc(-c4ccc(OC)c(OC)c4)cc23)cc1.
What is the InChIKey of 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is XJAODSOFFLOIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3/c1-25-16-7-4-13(5-8-16)20-17-10-15(12-22-21(17)24-23-20)14-6-9-18(26-2)19(11-14)27-3/h4-12H,1-3H3,(H,22,23,24).
What are the key properties of 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine?
5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 361.40 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 164627590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).