Bms-279700
Basic information
- CAS
240814-54-4- Standard SMILES
Cc1cccc(Cl)c1Nc1nc2ccc(N3CCN[C@@H](C)C3)nc2n2cncc12- InChIKey
PUNYTBZWCMNSRO-AWEZNQCLSA-N- Molecular formula
- C21H22ClN7
- Average molar mass
- 407.9 g/mol
- Monoisotopic mass
- 407.1625214
Overview
a potent and orally active inhibitor with excellent in vivo antiinflammatory activity; structure in first source
Names & identifiers
- Preferred name
- Bms-279700
- IUPAC
- N-(2-chloro-6-methylphenyl)-12-[(3S)-3-methylpiperazin-1-yl]-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amine
Names & synonyms
BMS-279700240814-54-48FX9DP2Y1WImidazo(1,5-a)pyrido(3,2-E)pyrazin-6-amine, N-(2-chloro-6-methylphenyl)-2-((3S)-3-methyl-1-piperazinyl)-RefChem:120717BMS279700CHEMBL189338N-(2-Chloro-6-methylphenyl)-12-[(3S)-3-methylpiperazin-1-yl]-2,4,8,13-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-7-amineUNII-8FX9DP2Y1W(S)-N-(2-chloro-6-methylphenyl)-2-(3-methylpiperazin-1-yl)imidazo[1,5-a]pyrido[3,2-e]pyrazin-6-amineorb1698099SCHEMBL4036209
Show more names
BDBM50151366AKOS040750849T30511Q27270345(2-Chloro-6-methyl-phenyl)-[8-((S)-3-methyl-piperazin-1-yl)-2,5,9,9b-tetraaza-cyclopenta[a]naphthalen-4-yl]-amine
Database identifiers
- CAS
240814-54-4- PubChem CID
- 9844320
- ChEMBL
CHEMBL189338- UNII
- 8FX9DP2Y1W
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 70.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 565
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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