Basic information
- Standard SMILES
CCOC(=O)C1(c2ccc(Cn3c(CC)nc4c(C)cc(C)nc43)s2)CC=CC1- InChIKey
KZGCWYQQFLLUIS-UHFFFAOYSA-N- Molecular formula
- C23H27N3O2S
- Average molar mass
- 409.5 g/mol
Names & identifiers
- Preferred name
- 1-[5-(2-Ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-ylmethyl)-thiophen-2-yl]cyclopent-3ene carboxylic acid ethyl ester
- IUPAC
- ethyl 1-[5-[(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-yl)methyl]thiophen-2-yl]cyclopent-3-ene-1-carboxylate
Names & synonyms
SCHEMBL2884118KZGCWYQQFLLUIS-UHFFFAOYSA-N1-[5-(2-ethyl-5,7-dimethylimidazo[4,5-b]pyridin-3-ylmethyl)-thiophen-2-yl]cyclopent-3ene carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 68427632
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 619
Related reactions
2 records
Compound notes
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