Basic information
- Standard SMILES
CN1c2c(C#N)cc(Nc3cc(Cl)cnc3Cl)cc2[C@@H]2CNCC[C@@H]21- InChIKey
MIPHOGYRMCMJQQ-HOCLYGCPSA-N- Molecular formula
- C18H17Cl2N5
- Average molar mass
- 374.3 g/mol
- Monoisotopic mass
- 373.086101
Names & identifiers
- Preferred name
- (4aS,9bR)-8-(2,5-dichloro-pyridin-3-ylamino)-5-methyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole-6-carbonitrile
- IUPAC
- (4aS,9bR)-8-[(2,5-dichloro-3-pyridinyl)amino]-5-methyl-1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indole-6-carbonitrile
Names & synonyms
SCHEMBL1845247MIPHOGYRMCMJQQ-HOCLYGCPSA-N(4aS,9bR)-8-(2,5-dichloro-pyridin-3-ylamino)-5-methyl-2,3,4,4a,5,9b-hexahydro-1H-pyrido[4,3-b]indole-6-carbonitrile
Database identifiers
- PubChem CID
- 58700330
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 64 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 537
Related reactions
1 records
Compound notes
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