Basic information
- Standard SMILES
Cc1ccc(S(=O)(=O)n2cc(-c3cnn(Cc4cccc(F)c4)c3)c3cc(-c4ccc(N5CCN(C(=O)OC(C)(C)C)CC5)cc4)cnc32)cc1- InChIKey
LODIUQVPWDNXDJ-UHFFFAOYSA-N- Molecular formula
- C39H39FN6O4S
- Average molar mass
- 706.8 g/mol
- Monoisotopic mass
- 706.27375308
Names & identifiers
- Preferred name
- tert-butyl 4-(4-(3-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)piperazine-1-carboxylate
- IUPAC
- tert-butyl 4-[4-[3-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]phenyl]piperazine-1-carboxylate
Names & synonyms
SCHEMBL15556498LODIUQVPWDNXDJ-UHFFFAOYSA-Ntert-butyl 4-(4-(3-(1-(3-fluorobenzyl)-1H-pyrazol-4-yl)-1-tosyl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl)piperazine-1-carboxylate
Database identifiers
- PubChem CID
- 90030697
Properties
Computed structural properties
- XLogP
- 6.9
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 51
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
3 records
Compound notes
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