[3-methyl-4-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid
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Basic information
- CAS
1006444-38-7- Standard SMILES
Cc1nn(CC(=O)O)c2nccc(-c3cnn(C)c3)c12- InChIKey
UOCTWXQNHOWNGV-UHFFFAOYSA-N- Molecular formula
- C13H13N5O2
- Average molar mass
- 271.27 g/mol
Names & identifiers
- Preferred name
- [3-methyl-4-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid
- IUPAC
- 2-[3-methyl-4-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid
- English name
- [3-methyl-4-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid
- Molecular formula
- C13H13N5O2
- Molecular weight
- 271.27
Names & synonyms
1006444-38-7[3-methyl-4-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid2-(3-Methyl-4-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acidMFCD086976822-[3-methyl-4-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridin-1-yl]acetic acid2-[3-methyl-4-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl]acetic acid2-[3-methyl-4-(1-methylpyrazol-4-yl)pyrazolo[5,4-b]pyridinyl]acetic acidGQB44438SBB024339STK351352AKOS000316437ST086899
Show more names
1H-Pyrazolo[3,4-b]pyridine-1-acetic acid, 3-methyl-4-(1-methyl-1H-pyrazol-4-yl)-
EN300-2310622-(3-Methyl-4-(1-methyl-1H-pyrazol-4-yl)-1H-pyrazolo[3,4-b]pyridin-1-yl)aceticacid
Database identifiers
- CAS
1006444-38-7
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 380
Physicochemical properties
- Boiling point
- 569.3 · 569.3±50.0 °C(Predicted)
- Density
- 1.46 · 1.46±0.1 g/cm3(Predicted)
- pka
- 3.99 · 3.99±0.30(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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