Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC(CNc2ccc(C(=O)Nc3n[nH]c4ccc(Cc5cc(F)cc(F)c5)cc34)c(N(C(=O)C(F)(F)F)C3CCOCC3)c2)C1- InChIKey
XDIYJVUXTXPZMS-UHFFFAOYSA-N- Molecular formula
- C37H39F5N6O5
- Average molar mass
- 742.7 g/mol
- Monoisotopic mass
- 742.29020918
Names & identifiers
- Preferred name
- tert-butyl 3-{[(4-{[5-(3,5-difluorobenzyl)-1H-indazol-3-yl]carbamoyl}-3-[tetrahydro-2H-pyran-4-yl(trifluoroacetyl)amino]phenyl)amino]methyl}azetidine-1-carboxylate
- IUPAC
- tert-butyl 3-[[4-[[5-[(3,5-difluorophenyl)methyl]-1H-indazol-3-yl]carbamoyl]-3-[oxan-4-yl-(2,2,2-trifluoroacetyl)amino]anilino]methyl]azetidine-1-carboxylate
Names & synonyms
tert-butyl 3-{[(4-{[5-(3,5-difluorobenzyl)-1H-indazol-3-yl]carbamoyl}-3-[tetrahydro-2H-pyran-4-yl(trifluoroacetyl)amino]phenyl)amino]methyl}azetidine-1-carboxylatetert-butyl 3-{[(4-{[5-(3,5-difluorobenzyl)-1H-indazol-3-yl]carbamoyl}-3-{tetrahydro-2H-pyran-4-yl(trifluoroacetyl)amino]phenyl)amino}methyl}azetidine-1-carboxylateSCHEMBL3512896DB-0969121108746-93-5
Database identifiers
- PubChem CID
- 86647629
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 11
- Heavy atoms
- 53
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
12 records
Compound notes
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