1-benzyl-3-cyclopropyl-6-ethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Basic information
- CAS
1119499-73-8- Standard SMILES
CCc1cc(C(=O)O)c2c(C3CC3)nn(Cc3ccccc3)c2n1- InChIKey
YVHRNGRYZYXACD-UHFFFAOYSA-N- Molecular formula
- C19H19N3O2
- Average molar mass
- 321.4 g/mol
- Monoisotopic mass
- 321.14772686
Names & identifiers
- Preferred name
- 1-benzyl-3-cyclopropyl-6-ethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
- IUPAC
- 1-benzyl-3-cyclopropyl-6-ethylpyrazolo[3,4-b]pyridine-4-carboxylic acid
Names & synonyms
1119499-73-81-benzyl-3-cyclopropyl-6-ethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acidMFCD10699004DTXSID301130227SBB026629STK4002261-benzyl-3-cyclopropyl-6-ethyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylicacid1-benzyl-3-cyclopropyl-6-ethylpyrazolo[3,4-b]pyridine-4-carboxylic acidAKOS005168749CS-0296574EN300-2320631-benzyl-3-cyclopropyl-6-ethyl-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Show more names
3-cyclopropyl-6-ethyl-1-benzylpyrazolo[5,4-b]pyridine-4-carboxylic acid3-Cyclopropyl-6-ethyl-1-(phenylmethyl)-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
Database identifiers
- CAS
1119499-73-8- PubChem CID
- 25252385
- DTXSID
DTXSID301130227
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 68 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 462
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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