(5-Bromo-1-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)[3,4-dihydro-6-[1-(methylamino)ethyl]-2(1H)-isoquinolinyl]methanone
Basic information
- CAS
1631071-35-6- Standard SMILES
CNC(C)c1ccc2c(c1)CCN(C(=O)c1cc3cc(Br)ncc3n1C)C2- InChIKey
UNQQCRWBLCIDKM-UHFFFAOYSA-N- Molecular formula
- C21H23BrN4O
- Average molar mass
- 427.3 g/mol
- Monoisotopic mass
- 426.10552
Names & identifiers
- Preferred name
- (5-Bromo-1-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)[3,4-dihydro-6-[1-(methylamino)ethyl]-2(1H)-isoquinolinyl]methanone
- IUPAC
- (5-bromo-1-methylpyrrolo[2,3-c]pyridin-2-yl)-[6-[1-(methylamino)ethyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
Names & synonyms
DTXSID401106756(5-Bromo-1-methyl-1H-pyrrolo[2,3-c]pyridin-2-yl)[3,4-dihydro-6-[1-(methylamino)ethyl]-2(1H)-isoquinolinyl]methanone1631071-35-6
Database identifiers
- CAS
1631071-35-6- PubChem CID
- 165367252
- DTXSID
DTXSID401106756
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 546
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Compound notes
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