Piperazine, 1-(1H-indol-2-ylcarbonyl)-4-(3-((2,2,2-trifluoroethyl)amino)-2-pyridinyl)-
Basic information
- CAS
136816-92-7- Standard SMILES
O=C(c1cc2ccccc2[nH]1)N1CCN(c2ncccc2NCC(F)(F)F)CC1- InChIKey
XIRPNYJLBQYQPM-UHFFFAOYSA-N- Molecular formula
- C20H20F3N5O
- Average molar mass
- 403.4 g/mol
- Monoisotopic mass
- 403.16199476
Names & identifiers
- Preferred name
- Piperazine, 1-(1H-indol-2-ylcarbonyl)-4-(3-((2,2,2-trifluoroethyl)amino)-2-pyridinyl)-
- IUPAC
- 1H-indol-2-yl-[4-[3-(2,2,2-trifluoroethylamino)-2-pyridinyl]piperazin-1-yl]methanone
Names & synonyms
136816-92-7Piperazine, 1-(1H-indol-2-ylcarbonyl)-4-(3-((2,2,2-trifluoroethyl)amino)-2-pyridinyl)-1-(Indolyl-2-carbonyl)-4-(3-((2,2,2-trifluoroethyl)amino)-2-pyridyl)piperazine1-(Indolyl-2-carbonyl)-4-[3-[(2,2,2-trifluoroethyl)amino]-2-pyridyl]piperazinePiperazine, 1-(1H-indol-2-ylcarbonyl)-4-[3-[(2,2,2-trifluoroethyl)amino]-2-pyridinyl]-CHEMBL7389DTXSID40159945(1H-Indol-2-yl)(4-{3-[(2,2,2-trifluoroethyl)amino]pyridin-2-yl}piperazin-1-yl)methanone1H-indol-2-yl-[4-[3-(2,2,2-trifluoroethylamino)-2-pyridyl]piperazin-1-yl]methanone
Database identifiers
- CAS
136816-92-7- PubChem CID
- 453403
- DTXSID
DTXSID40159945- ChEMBL
CHEMBL7389
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 567
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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