methyl 1-(3-methylphenyl)-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate

C19H17N5O2 — CID 123462084

IUPACmethyl 1-(3-methylphenyl)-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(-c2cccc(C)c2)c2nc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C19H17N5O2/c1-12-5-4-6-14(9-12)24-18-15(17(22-24)19(25)26-3)7-8-16(21-18)13-10-20-23(2)11-13/h4-11H,1-3H3
InChIKeyHJTDZVZKBLJECQ-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.92
Rot. Bonds3

About methyl 1-(3-methylphenyl)-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate

methyl 1-(3-methylphenyl)-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate (PubChem CID 123462084) has the molecular formula C19H17N5O2 and a molecular weight of 347.38 g/mol. Its IUPAC name is methyl 1-(3-methylphenyl)-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-methylphenyl)-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate
PubChem CID123462084
Molecular FormulaC19H17N5O2
Molecular Weight347.38 g/mol
Exact Mass347.14
IUPAC Namemethyl 1-(3-methylphenyl)-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate
SMILESCOC(=O)c1nn(-c2cccc(C)c2)c2nc(-c3cnn(C)c3)ccc12
InChIInChI=1S/C19H17N5O2/c1-12-5-4-6-14(9-12)24-18-15(17(22-24)19(25)26-3)7-8-16(21-18)13-10-20-23(2)11-13/h4-11H,1-3H3
InChIKeyHJTDZVZKBLJECQ-UHFFFAOYSA-N
XLogP2.92
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-methylphenyl)-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The IUPAC name of methyl 1-(3-methylphenyl)-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate (CID 123462084) is methyl 1-(3-methylphenyl)-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate.
What is the SMILES notation for methyl 1-(3-methylphenyl)-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The canonical SMILES for methyl 1-(3-methylphenyl)-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate is COC(=O)c1nn(-c2cccc(C)c2)c2nc(-c3cnn(C)c3)ccc12.
What is the InChIKey of methyl 1-(3-methylphenyl)-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate?
The InChIKey is HJTDZVZKBLJECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O2/c1-12-5-4-6-14(9-12)24-18-15(17(22-24)19(25)26-3)7-8-16(21-18)13-10-20-23(2)11-13/h4-11H,1-3H3.
What are the key properties of methyl 1-(3-methylphenyl)-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate?
methyl 1-(3-methylphenyl)-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate has a molecular weight of 347.38 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-methylphenyl)-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate is sourced from PubChem (CID 123462084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).