Basic information
- CAS
136817-84-0- Standard SMILES
CC(C)Nc1cccnc1N1CCN(C(=O)c2cc3ccc(F)cc3[nH]2)CC1- InChIKey
KOPAYFJVMRIEBO-UHFFFAOYSA-N- Molecular formula
- C21H24FN5O
- Average molar mass
- 381.4 g/mol
- Monoisotopic mass
- 381.19648857
Names & identifiers
- Preferred name
- Piperazine, 1-((6-fluoro-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-
- IUPAC
- (6-fluoro-1H-indol-2-yl)-[4-[3-(propan-2-ylamino)-2-pyridinyl]piperazin-1-yl]methanone
Names & synonyms
136817-84-0Piperazine, 1-((6-fluoro-1H-indol-2-yl)carbonyl)-4-(3-((1-methylethyl)amino)-2-pyridinyl)-N-(6-Fluoro-2-indolcarbonyl)-N'-(3-(isopropylamino)-2-pyridinyl)piperazineN-[6-Fluoro-2-indolcarbonyl]-N'-[3-(isopropylamino)-2-pyridinyl]piperazinePiperazine, 1-[(6-fluoro-1H-indol-2-yl)carbonyl]-4-[3-[(1-methylethyl)amino]-2-pyridinyl]-BDBM2297CHEMBL286325DTXSID60159962(6-Fluoro-1H-indol-2-yl)(4-{3-[(propan-2-yl)amino]pyridin-2-yl}piperazin-1-yl)methanone(6-fluoro-1H-indol-2-yl)-[4-[3-(isopropylamino)-2-pyridyl]piperazin-1-yl]methanone2-{4-[(6-fluoro-1H-indol-2-yl)carbonyl]piperazin-1-yl}-N-(propan-2-yl)pyridin-3-amine
Database identifiers
- CAS
136817-84-0- PubChem CID
- 453391
- DTXSID
DTXSID60159962- ChEMBL
CHEMBL286325
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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