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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Related Compounds

azane;1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxamide;methanol;methyl 1-[3-[2-[(3R)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]ethynyl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-3-carboxylate
CID 159522616
methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate
CID 123601598
methyl 5-amino-1-(3-methylphenyl)triazole-4-carboxylate
CID 4912897
ethane;methyl 1-(3-methylphenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-3-carboxylate
CID 144793145
methyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate
CID 22677253
aminothiourea;methyl 2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 90741884
methyl 3-(1-methylpyrazol-4-yl)-1H-pyrazole-5-carboxylate
CID 86207960
methyl 2-fluoro-6-(1-methylpyrazol-4-yl)pyridine-4-carboxylate
CID 139447815
methyl 3-[2-(1-methylpyrazol-4-yl)-1,3-thiazol-4-yl]benzoate
CID 122156362
methyl 4-(methylamino)-6-(1-methylpyrazol-4-yl)pyrimidine-2-carboxylate
CID 106715741
ethyl 2-ethyl-6-(1-methylpyrazol-4-yl)pyridine-3-carboxylate
CID 116532896
2-(1-methylpyrazol-4-yl)-N-propan-2-ylquinoline-4-carboxamide
CID 19513034

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).