5-(3-{(3R,4R)-1-tert-butoxycarbonyl-3-[(S)-3-(4-fluoro-benzyl)-piperidine-1-carbonyl]-piperidin-4-yl}-ureido)-indazole-1-carboxylic acid t-butyl ester
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Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CC[C@@H](NC(=O)Nc2ccc3c(cnn3C(=O)OC(C)(C)C)c2)[C@H](C(=O)N2CCC[C@@H](Cc3ccc(F)cc3)C2)C1- InChIKey
MPJHEPFHPPBDNR-TUMTZTIRSA-N- Molecular formula
- C36H47FN6O6
- Average molar mass
- 678.8 g/mol
- Monoisotopic mass
- 678.3541114
Names & identifiers
- Preferred name
- 5-(3-{(3R,4R)-1-tert-butoxycarbonyl-3-[(S)-3-(4-fluoro-benzyl)-piperidine-1-carbonyl]-piperidin-4-yl}-ureido)-indazole-1-carboxylic acid t-butyl ester
- IUPAC
- tert-butyl 5-[[(3R,4R)-3-[(3S)-3-[(4-fluorophenyl)methyl]piperidine-1-carbonyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]carbamoylamino]indazole-1-carboxylate
Names & synonyms
SCHEMBL6348200MPJHEPFHPPBDNR-TUMTZTIRSA-N5-(3-{(3R,4R)-1-tert-butoxycarbonyl-3-[(S)-3-(4-fluoro-benzyl)-piperidine-1-carbonyl]-piperidin-4-yl}-ureido)-indazole-1-carboxylic acid t-butyl ester
Database identifiers
- PubChem CID
- 69748723
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 135 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 49
- Formal charge
- 0
- Complexity
- 1,180
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Related reactions
1 records
Compound notes
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