ethyl 4-(4-methoxyphenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

C18H19N3O4 — CID 2778640

IUPACethyl 4-(4-methoxyphenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C)c1Oc1ccc(OC)cc1
InChIInChI=1S/C18H19N3O4/c1-5-24-18(22)14-10-19-17-15(11(2)20-21(17)3)16(14)25-13-8-6-12(23-4)7-9-13/h6-10H,5H2,1-4H3
InChIKeyZXFKIPRYQOGRCX-UHFFFAOYSA-N
MW341.37 g/mol
LogP3.25
Rot. Bonds5

About ethyl 4-(4-methoxyphenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate

ethyl 4-(4-methoxyphenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 2778640) has the molecular formula C18H19N3O4 and a molecular weight of 341.37 g/mol. Its IUPAC name is ethyl 4-(4-methoxyphenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-methoxyphenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID2778640
Molecular FormulaC18H19N3O4
Molecular Weight341.37 g/mol
Exact Mass341.14
IUPAC Nameethyl 4-(4-methoxyphenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2C)c1Oc1ccc(OC)cc1
InChIInChI=1S/C18H19N3O4/c1-5-24-18(22)14-10-19-17-15(11(2)20-21(17)3)16(14)25-13-8-6-12(23-4)7-9-13/h6-10H,5H2,1-4H3
InChIKeyZXFKIPRYQOGRCX-UHFFFAOYSA-N
XLogP3.25
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methoxyphenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of ethyl 4-(4-methoxyphenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate (CID 2778640) is ethyl 4-(4-methoxyphenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for ethyl 4-(4-methoxyphenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for ethyl 4-(4-methoxyphenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(c(C)nn2C)c1Oc1ccc(OC)cc1.
What is the InChIKey of ethyl 4-(4-methoxyphenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is ZXFKIPRYQOGRCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4/c1-5-24-18(22)14-10-19-17-15(11(2)20-21(17)3)16(14)25-13-8-6-12(23-4)7-9-13/h6-10H,5H2,1-4H3.
What are the key properties of ethyl 4-(4-methoxyphenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate?
ethyl 4-(4-methoxyphenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 341.37 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methoxyphenoxy)-1,3-dimethylpyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 2778640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).