5-(5-{[(2R)-2-(aminocarbonyl)-1-pyrrolidinyl]methyl}-3-thienyl)-3-[1-[(1-methylethyl)sulfonyl]-4-piperidinyl]-1H-indole-7-carboxamide
Basic information
- Standard SMILES
CC(C)S(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4csc(CN5CCC[C@@H]5C(N)=O)c4)cc23)CC1- InChIKey
CPFHZJQLKGWNCX-XMMPIXPASA-N- Molecular formula
- C27H35N5O4S2
- Average molar mass
- 557.7 g/mol
- Monoisotopic mass
- 557.21304696
Names & identifiers
- Preferred name
- 5-(5-{[(2R)-2-(aminocarbonyl)-1-pyrrolidinyl]methyl}-3-thienyl)-3-[1-[(1-methylethyl)sulfonyl]-4-piperidinyl]-1H-indole-7-carboxamide
- IUPAC
- 5-[5-[[(2R)-2-carbamoylpyrrolidin-1-yl]methyl]thiophen-3-yl]-3-(1-propan-2-ylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
Names & synonyms
5-(5-{[(2R)-2-(aminocarbonyl)-1-pyrrolidinyl]methyl}-3-thienyl)-3-[1-[(1-methylethyl)sulfonyl]-4-piperidinyl]-1H-indole-7-carboxamide5-(5-{[(2R)-2-(aminocarbonyl)-1-pyrrolidinyl]methyl}-3-thienyl)-3-{1-[(1-methylethyl)sulfonyl]-4-piperidinyl}-1H-indole-7-carboxamideSCHEMBL552750CPFHZJQLKGWNCX-XMMPIXPASA-N
Database identifiers
- PubChem CID
- 57732818
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 179 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 980
Related reactions
2 records
Compound notes
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