Basic information
- Standard SMILES
Cc1ccc2c(-c3cnc4[nH]cc(C(=O)NC5(C)CCN(C(=O)OC(C)(C)C)C5)c4n3)n[nH]c2c1- InChIKey
BALYWIPAOJFEMI-UHFFFAOYSA-N- Molecular formula
- C25H29N7O3
- Average molar mass
- 475.5 g/mol
- Monoisotopic mass
- 475.23318781
Names & identifiers
- Preferred name
- tert-butyl 3-methyl-3-(2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamido)pyrrolidine-1-carboxylate
- IUPAC
- tert-butyl 3-methyl-3-[[2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]pyrrolidine-1-carboxylate
Names & synonyms
SCHEMBL14737526BALYWIPAOJFEMI-UHFFFAOYSA-Ntert-butyl 3-methyl-3-(2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamido)pyrrolidine-1-carboxylate
Database identifiers
- PubChem CID
- 71279771
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 819
Related reactions
2 records
Compound notes
Loading…