Basic information
- Standard SMILES
CCc1nc2c(cnn2CC)c(NC2CCOCC2)c1CNC(=O)C1(C(=O)NCc2cccc(-c3cccc(CC4CCN(C(=O)OC(C)(C)C)CC4)c3)c2)CC1- InChIKey
UDDSJNJDGSPBFP-UHFFFAOYSA-N- Molecular formula
- C45H59N7O5
- Average molar mass
- 778 g/mol
Names & identifiers
- Preferred name
- 1,1-dimethylethyl 4-[(3'-{[({1-[({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)carbonyl]cyclopropyl}carbonyl)amino]methyl}-3-biphenylyl)methyl]-1-piperidinecarboxylate
- IUPAC
- tert-butyl 4-[[3-[3-[[[1-[[1,6-diethyl-4-(oxan-4-ylamino)pyrazolo[3,4-b]pyridin-5-yl]methylcarbamoyl]cyclopropanecarbonyl]amino]methyl]phenyl]phenyl]methyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL4346080UDDSJNJDGSPBFP-UHFFFAOYSA-N1,1-dimethylethyl 4-[(3'-{[({1-[({[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}amino)carbonyl]cyclopropyl}carbonyl)amino]methyl}-3-biphenylyl)methyl]-1-piperidinecarboxylate
Database identifiers
- PubChem CID
- 69010666
Properties
Computed structural properties
- XLogP
- 6.8
- Topological polar surface area
- 140 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 15
- Heavy atoms
- 57
- Formal charge
- 0
- Complexity
- 1,340
Related reactions
2 records
Compound notes
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