Basic information
- CAS
860785-52-0- Standard SMILES
CCOC(=O)c1cnc2c(c(C)nn2CC)c1NCc1ccc(OC)cc1- InChIKey
VTEZQFTXRLWMLC-UHFFFAOYSA-N- Molecular formula
- C20H24N4O3
- Average molar mass
- 368.4 g/mol
- Monoisotopic mass
- 368.18484064
Names & identifiers
- Preferred name
- ethyl 1-ethyl-4-[(4-methoxybenzyl)amino]-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
- IUPAC
- ethyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate
- English name
- ETHYL 1-ETHYL-4-[(4-METHOXYBENZYL)AMINO]-3-METHYL-1H-PYRAZOLO[3,4-B]PYRIDINE-5-CARBOXYLATE
- Molecular formula
- C20H24N4O3
- Molecular weight
- 368.43
Names & synonyms
860785-52-0ethyl 1-ethyl-4-[(4-methoxybenzyl)amino]-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylateMFCD04124528ethyl 1-ethyl-4-{[(4-methoxyphenyl)methyl]amino}-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylateethyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylateEthyl 1-ethyl-4-((4-methoxybenzyl)amino)-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylateAKOS005081426SR-0100030897512W-0035SR-01000308975-1ethyl 1-ethyl-4-[(4-methoxyphenyl)methylamino]-3-methyl-pyrazolo[3,4-b]pyridine-5-carboxylateethyl1-ethyl-4-{[(4-methoxyphenyl)methyl]amino}-3-methyl-1H-pyrazolo[3,4-b]pyridine-5-carboxylate
Show more names
1H-Pyrazolo[3,4-b]pyridine-5-carboxylic acid, 1-ethyl-4-[[(4-methoxyphenyl)methyl]amino]-3-methyl-, ethyl ester
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 484
Physicochemical properties
- Boiling point
- 520.7 · 520.7±45.0 °C(Predicted)
- Density
- 1.22 · 1.22±0.1 g/cm3(Predicted)
- pka
- 4.31 · 4.31±0.30(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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