2,2-dimethyl-propionic acid 5-(4-amino-3-dimethylcarbamoyl-phenyl)-3-(2-ethyl-2H-pyrazol-3-yl)-pyrrolo[2,3-b]pyridin-1-ylmethyl ester
Basic information
- Standard SMILES
CCn1nccc1-c1cn(COC(=O)C(C)(C)C)c2ncc(-c3ccc(N)c(C(=O)N(C)C)c3)cc12- InChIKey
BYIYZLBDEOGYTB-UHFFFAOYSA-N- Molecular formula
- C27H32N6O3
- Average molar mass
- 488.6 g/mol
Names & identifiers
- Preferred name
- 2,2-dimethyl-propionic acid 5-(4-amino-3-dimethylcarbamoyl-phenyl)-3-(2-ethyl-2H-pyrazol-3-yl)-pyrrolo[2,3-b]pyridin-1-ylmethyl ester
- IUPAC
- [5-[4-amino-3-(dimethylcarbamoyl)phenyl]-3-(2-ethylpyrazol-3-yl)pyrrolo[2,3-b]pyridin-1-yl]methyl 2,2-dimethylpropanoate
Names & synonyms
SCHEMBL3563863BYIYZLBDEOGYTB-UHFFFAOYSA-N2,2-dimethyl-propionic acid 5-(4-amino-3-dimethylcarbamoyl-phenyl)-3-(2-ethyl-2H-pyrazol-3-yl)-pyrrolo[2,3-b]pyridin-1-ylmethyl ester
Database identifiers
- PubChem CID
- 57731545
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 786
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Related reactions
4 records
Compound notes
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