3-methoxy-4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol

C20H17N3O3 — CID 135962688

IUPAC3-methoxy-4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
SMILESCOc1ccc(-c2[nH]nc3nc(-c4ccc(O)cc4OC)ccc23)cc1
InChIInChI=1S/C20H17N3O3/c1-25-14-6-3-12(4-7-14)19-16-9-10-17(21-20(16)23-22-19)15-8-5-13(24)11-18(15)26-2/h3-11,24H,1-2H3,(H,21,22,23)
InChIKeyZYLZVOOKTNUMCB-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.01
Rot. Bonds4

About 3-methoxy-4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol

3-methoxy-4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol (PubChem CID 135962688) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 3-methoxy-4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol.

Molecular Properties

Compound Name3-methoxy-4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
PubChem CID135962688
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name3-methoxy-4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol
SMILESCOc1ccc(-c2[nH]nc3nc(-c4ccc(O)cc4OC)ccc23)cc1
InChIInChI=1S/C20H17N3O3/c1-25-14-6-3-12(4-7-14)19-16-9-10-17(21-20(16)23-22-19)15-8-5-13(24)11-18(15)26-2/h3-11,24H,1-2H3,(H,21,22,23)
InChIKeyZYLZVOOKTNUMCB-UHFFFAOYSA-N
XLogP4.01
TPSA80.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The IUPAC name of 3-methoxy-4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol (CID 135962688) is 3-methoxy-4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol.
What is the SMILES notation for 3-methoxy-4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The canonical SMILES for 3-methoxy-4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol is COc1ccc(-c2[nH]nc3nc(-c4ccc(O)cc4OC)ccc23)cc1.
What is the InChIKey of 3-methoxy-4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
The InChIKey is ZYLZVOOKTNUMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-25-14-6-3-12(4-7-14)19-16-9-10-17(21-20(16)23-22-19)15-8-5-13(24)11-18(15)26-2/h3-11,24H,1-2H3,(H,21,22,23).
What are the key properties of 3-methoxy-4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol?
3-methoxy-4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol has a molecular weight of 347.37 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[3-(4-methoxyphenyl)-2H-pyrazolo[3,4-b]pyridin-6-yl]phenol is sourced from PubChem (CID 135962688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).