tert-butyl 3-[(1S)-1-(2-chloro-6-{[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}-3-fluorophenyl)ethyl]-5-(1,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
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Basic information
- Standard SMILES
Cc1c(-c2cnc3c(c2)c([C@H](C)c2c(OC[C@@H]4COC(C)(C)O4)ccc(F)c2Cl)cn3C(=O)OC(C)(C)C)cnn1C- InChIKey
BWOULWSIHFTWQV-FXAWDEMLSA-N- Molecular formula
- C31H36ClFN4O5
- Average molar mass
- 599.1 g/mol
Names & identifiers
- Preferred name
- tert-butyl 3-[(1S)-1-(2-chloro-6-{[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}-3-fluorophenyl)ethyl]-5-(1,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
- IUPAC
- tert-butyl 3-[(1S)-1-[2-chloro-6-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy]-3-fluorophenyl]ethyl]-5-(1,5-dimethylpyrazol-4-yl)pyrrolo[2,3-b]pyridine-1-carboxylate
Names & synonyms
SCHEMBL1359408BWOULWSIHFTWQV-FXAWDEMLSA-Ntert-butyl 3-[(1S)-1-(2-chloro-6-{[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methoxy}-3-fluorophenyl)ethyl]-5-(1,5-dimethyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine-1-carboxylate
Database identifiers
- PubChem CID
- 67004604
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 89.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 42
- Formal charge
- 0
- Complexity
- 955
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Related reactions
1 records
Compound notes
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