5-(5-{[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino]methyl}-3-thienyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide
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Basic information
- Standard SMILES
CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4csc(CN(C)Cc5c(C)n[nH]c5C)c4)cc23)CC1- InChIKey
NVBAYPRJVCAOAN-UHFFFAOYSA-N- Molecular formula
- C28H36N6O3S2
- Average molar mass
- 568.8 g/mol
- Monoisotopic mass
- 568.22903138
Names & identifiers
- Preferred name
- 5-(5-{[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino]methyl}-3-thienyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide
- IUPAC
- 5-[5-[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl-methylamino]methyl]thiophen-3-yl]-3-(1-ethylsulfonylpiperidin-4-yl)-1H-indole-7-carboxamide
Names & synonyms
SCHEMBL552904NVBAYPRJVCAOAN-UHFFFAOYSA-N5-(5-{[[(3,5-dimethyl-1H-pyrazol-4-yl)methyl](methyl)amino]methyl}-3-thienyl)-3-[1-(ethylsulfonyl)-4-piperidinyl]-1H-indole-7-carboxamide
Database identifiers
- PubChem CID
- 57732723
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 165 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 39
- Formal charge
- 0
- Complexity
- 955
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Related reactions
5 records
Compound notes
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