Basic information
- Standard SMILES
CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4ccc(CNC(=O)c5ccncc5)cc4)cc23)CC1- InChIKey
AWWAZWWEWRLHFW-UHFFFAOYSA-N- Molecular formula
- C29H31N5O4S
- Average molar mass
- 545.7 g/mol
Names & identifiers
- Preferred name
- 3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(4-{[(4-pyridinylcarbonyl)amino]methyl}phenyl)-1H-indole-7-carboxamide
- IUPAC
- 3-(1-ethylsulfonylpiperidin-4-yl)-5-[4-[(pyridine-4-carbonylamino)methyl]phenyl]-1H-indole-7-carboxamide
Names & synonyms
SCHEMBL552717AWWAZWWEWRLHFW-UHFFFAOYSA-N3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(4-{[(4-pyridinylcarbonyl)amino]methyl}phenyl)-1H-indole-7-carboxamide
Database identifiers
- PubChem CID
- 57732840
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 147 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 949
Related reactions
2 records
Compound notes
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