6-(3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine

C19H21N3O3 — CID 118893705

IUPAC6-(3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
SMILESCOc1cc(OC)cc(-c2ccc3cnn(C4CCCCO4)c3n2)c1
InChIInChI=1S/C19H21N3O3/c1-23-15-9-14(10-16(11-15)24-2)17-7-6-13-12-20-22(19(13)21-17)18-5-3-4-8-25-18/h6-7,9-12,18H,3-5,8H2,1-2H3
InChIKeyDNWGAANTRCJYOY-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.81
Rot. Bonds4

About 6-(3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine

6-(3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine (PubChem CID 118893705) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 6-(3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-(3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
PubChem CID118893705
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name6-(3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine
SMILESCOc1cc(OC)cc(-c2ccc3cnn(C4CCCCO4)c3n2)c1
InChIInChI=1S/C19H21N3O3/c1-23-15-9-14(10-16(11-15)24-2)17-7-6-13-12-20-22(19(13)21-17)18-5-3-4-8-25-18/h6-7,9-12,18H,3-5,8H2,1-2H3
InChIKeyDNWGAANTRCJYOY-UHFFFAOYSA-N
XLogP3.81
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine?
The IUPAC name of 6-(3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine (CID 118893705) is 6-(3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine.
What is the SMILES notation for 6-(3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine?
The canonical SMILES for 6-(3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine is COc1cc(OC)cc(-c2ccc3cnn(C4CCCCO4)c3n2)c1.
What is the InChIKey of 6-(3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine?
The InChIKey is DNWGAANTRCJYOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-23-15-9-14(10-16(11-15)24-2)17-7-6-13-12-20-22(19(13)21-17)18-5-3-4-8-25-18/h6-7,9-12,18H,3-5,8H2,1-2H3.
What are the key properties of 6-(3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine?
6-(3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine has a molecular weight of 339.40 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethoxyphenyl)-1-(oxan-2-yl)pyrazolo[5,4-b]pyridine is sourced from PubChem (CID 118893705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).