5-(5-{[(cyanomethyl)(methyl)amino]methyl}-3-thienyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide
Basic information
- Standard SMILES
CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4csc(CN(C)CC#N)c4)cc23)CC1- InChIKey
ALRGGPYTIJNRFP-UHFFFAOYSA-N- Molecular formula
- C24H29N5O3S2
- Average molar mass
- 499.7 g/mol
- Monoisotopic mass
- 499.17118215
Names & identifiers
- Preferred name
- 5-(5-{[(cyanomethyl)(methyl)amino]methyl}-3-thienyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide
- IUPAC
- 5-[5-[[cyanomethyl(methyl)amino]methyl]thiophen-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
Names & synonyms
SCHEMBL553594ALRGGPYTIJNRFP-UHFFFAOYSA-N5-(5-{[(cyanomethyl)(methyl)amino]methyl}-3-thienyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide
Database identifiers
- PubChem CID
- 57732681
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 877
Related reactions
2 records
Compound notes
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