N-[2-(5-Chloro-1H-indol-3-yl)ethyl]-4'-cyanobiphenyl-2-carboxamide
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Basic information
- CAS
1383373-65-6- Standard SMILES
N#Cc1ccc(-c2ccccc2C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cc1- InChIKey
FCSWXUCDKVWJEN-UHFFFAOYSA-N- Molecular formula
- C24H18ClN3O
- Average molar mass
- 399.9 g/mol
- Monoisotopic mass
- 399.1138399
Names & identifiers
- Preferred name
- N-[2-(5-Chloro-1H-indol-3-yl)ethyl]-4'-cyanobiphenyl-2-carboxamide
- IUPAC
- N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-cyanophenyl)benzamide
- English name
- N-[2-(5-Chloro-1H-indol-3-yl)ethyl]-4'-cyanobiphenyl-2-carboxaMide
- Molecular formula
- C24H18ClN3O
- Molecular weight
- 399.87
Names & synonyms
1383373-65-6N-[2-(5-Chloro-1H-indol-3-yl)ethyl]-4'-cyanobiphenyl-2-carboxamideTAU-IN-1N-(2-(5-chloro-1H-indol-3-yl)ethyl)-4'-cyanobiphenyl-2-carboxamideN-[2-(5-Chloro-1H-indol-3-yl)ethyl]-4'-cyano[1,1'-biphenyl]-2-carboxamideorb1689842SCHEMBL9936183CHEMBL2152859FCSWXUCDKVWJEN-UHFFFAOYSA-NEX-A5890AKOS040758871HY-13486
Show more names
N-[2-(5-Chloro-1H-indol-3-yl)ethyl]-4′-cyano[1,1′-biphenyl]-2-carboxamideN-[2-(5-Chloro-1H-indol-3-yl)ethyl]-4''-cyanobiphenyl-2-carboxaMide, 10 mM in DMSON[2(5Chloro1Hindol3yl)ethyl]4'cyanobiphenyl2carboxaMide,N [2 (5 Chloro 1H indol 3 yl)ethyl] 4' cyanobiphenyl 2 carboxaMide
TS-09174CS-0007063H57474T60041N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-(4-cyanophenyl)benzamideN-[2-(5-Chloro-1H-indol-3-yl)ethyl]-4 inverted exclamation marka-cyano[1,1 inverted exclamation marka-biphenyl]-2-carboxamide
Database identifiers
- CAS
1383373-65-6- PubChem CID
- 67973277
- ChEMBL
CHEMBL2152859
Properties
Computed structural propertiesFilling in
- XLogP
- 5.3
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 608
Physicochemical properties
- Boiling point
- 690.947 · 690.947±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.349 · 1.349±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.348 · 14.348±0.46(predicted)
Chemistry & industry
Applications
UsesTAU-IN-1 (compound 051) is a TAU protein inhibitor with an EC50 value of 325 nM. TAU-IN-1 can be used in the study of neurodegenerative diseases[1].
Related reactions
1 records
Compound notes
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