3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
Basic information
- CAS
923553-86-0- Standard SMILES
Nc1c(C(=O)NCCc2c[nH]c3ccccc23)sc2nc3c(c(C(F)(F)F)c12)CCC3- InChIKey
LTVAWUUPOWEEEK-UHFFFAOYSA-N- Molecular formula
- C22H19F3N4OS
- Average molar mass
- 444.5 g/mol
- Monoisotopic mass
- 444.1231669
Names & identifiers
- Preferred name
- 3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
- IUPAC
- 6-amino-N-[2-(1H-indol-3-yl)ethyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
- English name
- 3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamide
- Molecular formula
- C22H19F3N4OS
- Molecular weight
- 444.4726696
Names & synonyms
3-amino-N-[2-(1H-indol-3-yl)ethyl]-4-(trifluoromethyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridine-2-carboxamideAM-807/43303377AKOS0041124596-amino-N-[2-(1H-indol-3-yl)ethyl]-8-(trifluoromethyl)-4-thia-2-azatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7-tetraene-5-carboxamide
Database identifiers
- CAS
923553-86-0- PubChem CID
- 11838772
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 680
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Compound notes
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