[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate

C23H19N5O5 — CID 39976966

IUPAC[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOc1ccccc1-c1noc(COC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)n1
InChIInChI=1S/C23H19N5O5/c1-13-20-15(11-16(18-9-6-10-31-18)24-22(20)28(2)26-13)23(29)32-12-19-25-21(27-33-19)14-7-4-5-8-17(14)30-3/h4-11H,12H2,1-3H3
InChIKeyIUVGLDIDIQILOP-UHFFFAOYSA-N
MW445.44 g/mol
LogP3.95
Rot. Bonds6

About [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate

[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 39976966) has the molecular formula C23H19N5O5 and a molecular weight of 445.44 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID39976966
Molecular FormulaC23H19N5O5
Molecular Weight445.44 g/mol
Exact Mass445.14
IUPAC Name[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOc1ccccc1-c1noc(COC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)n1
InChIInChI=1S/C23H19N5O5/c1-13-20-15(11-16(18-9-6-10-31-18)24-22(20)28(2)26-13)23(29)32-12-19-25-21(27-33-19)14-7-4-5-8-17(14)30-3/h4-11H,12H2,1-3H3
InChIKeyIUVGLDIDIQILOP-UHFFFAOYSA-N
XLogP3.95
TPSA118.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.44
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate with MolForge

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Related Compounds

6-(furan-2-yl)-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31866868
(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 1,3-dimethyl-6-phenylpyrazolo[5,4-b]pyridine-4-carboxylate
CID 30926063
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-fluorobenzoate
CID 18171401
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(2,5-dimethylfuran-3-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55485514
(1,3-dioxoisoindol-2-yl)methyl 6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46682221
6-(furan-2-yl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55979218
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609444
(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 2-(furan-2-yl)quinoline-4-carboxylate
CID 8761958
6-(furan-2-yl)-1,3-dimethyl-N-naphthalen-1-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16620803
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-fluoro-4-methoxybenzoate
CID 8702810
benzyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]acetate
CID 35186695
diethyl 2-[[6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbonyl]amino]propanedioate
CID 55513345

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 39976966) is [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate is COc1ccccc1-c1noc(COC(=O)c2cc(-c3ccco3)nc3c2c(C)nn3C)n1.
What is the InChIKey of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is IUVGLDIDIQILOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O5/c1-13-20-15(11-16(18-9-6-10-31-18)24-22(20)28(2)26-13)23(29)32-12-19-25-21(27-33-19)14-7-4-5-8-17(14)30-3/h4-11H,12H2,1-3H3.
What are the key properties of [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate?
[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 445.44 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 6-(furan-2-yl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 39976966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).