methyl 6-(3,4-dimethoxyphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

C19H21N3O4 — CID 8892581

IUPACmethyl 6-(3,4-dimethoxyphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2c1cnn2C(C)C
InChIInChI=1S/C19H21N3O4/c1-11(2)22-18-14(10-20-22)13(19(23)26-5)9-15(21-18)12-6-7-16(24-3)17(8-12)25-4/h6-11H,1-5H3
InChIKeyRQVUEKSILFSHRR-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.48
Rot. Bonds5

About methyl 6-(3,4-dimethoxyphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate

methyl 6-(3,4-dimethoxyphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 8892581) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is methyl 6-(3,4-dimethoxyphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-(3,4-dimethoxyphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
PubChem CID8892581
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Namemethyl 6-(3,4-dimethoxyphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2c1cnn2C(C)C
InChIInChI=1S/C19H21N3O4/c1-11(2)22-18-14(10-20-22)13(19(23)26-5)9-15(21-18)12-6-7-16(24-3)17(8-12)25-4/h6-11H,1-5H3
InChIKeyRQVUEKSILFSHRR-UHFFFAOYSA-N
XLogP3.48
TPSA75.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(3,4-dimethoxyphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of methyl 6-(3,4-dimethoxyphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate (CID 8892581) is methyl 6-(3,4-dimethoxyphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for methyl 6-(3,4-dimethoxyphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for methyl 6-(3,4-dimethoxyphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is COC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2c1cnn2C(C)C.
What is the InChIKey of methyl 6-(3,4-dimethoxyphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is RQVUEKSILFSHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-11(2)22-18-14(10-20-22)13(19(23)26-5)9-15(21-18)12-6-7-16(24-3)17(8-12)25-4/h6-11H,1-5H3.
What are the key properties of methyl 6-(3,4-dimethoxyphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate?
methyl 6-(3,4-dimethoxyphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(3,4-dimethoxyphenyl)-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 8892581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).