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Basic information
- Standard SMILES
CCS(=O)(=O)N1CCC(c2c[nH]c3c(C(N)=O)cc(-c4cnn(CCN(C)CCO)c4)cc23)CC1- InChIKey
YTNCROIANFYOTB-UHFFFAOYSA-N- Molecular formula
- C24H34N6O4S
- Average molar mass
- 502.6 g/mol
- Monoisotopic mass
- 502.23622476
Names & identifiers
- Preferred name
- 3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(1-{2-[(2-hydroxyethyl)(methyl)amino]ethyl}-1H-pyrazol-4-yl)-1H-indole-7-carboxamide
- IUPAC
- 3-(1-ethylsulfonylpiperidin-4-yl)-5-[1-[2-[2-hydroxyethyl(methyl)amino]ethyl]pyrazol-4-yl]-1H-indole-7-carboxamide
Names & synonyms
SCHEMBL552252YTNCROIANFYOTB-UHFFFAOYSA-N3-[1-(ethylsulfonyl)-4-piperidinyl]-5-(1-{2-[(2-hydroxyethyl)(methyl)amino]ethyl}-1H-pyrazol-4-yl)-1H-indole-7-carboxamide
Database identifiers
- PubChem CID
- 57732644
Properties
Computed structural propertiesFilling in
- XLogP
- 0.3
- Topological polar surface area
- 146 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 815
Related reactions
3 records
Compound notes
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