Basic information
- Standard SMILES
CN1CCN(C2CCN(C(=O)Nc3cc(Oc4ccc(NC(=O)C5(C(=O)OCc6ccccc6)CC5)c(F)c4)ccn3)CC2)CC1- InChIKey
UIZQLXJMMLOXEE-UHFFFAOYSA-N- Molecular formula
- C34H39FN6O5
- Average molar mass
- 630.7 g/mol
Names & identifiers
- Preferred name
- 1-[2-Fluoro-4-(2-{[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino}pyridin-4-yloxy)phenylcarbamoyl]cyclopropanecarboxylic acid benzyl ester
- IUPAC
- benzyl 1-[[2-fluoro-4-[[2-[[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino]-4-pyridinyl]oxy]phenyl]carbamoyl]cyclopropane-1-carboxylate
Names & synonyms
SCHEMBL3061937UIZQLXJMMLOXEE-UHFFFAOYSA-N1-[2-Fluoro-4-(2-{[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]amino}pyridin-4-yloxy)phenylcarbamoyl]cyclopropanecarboxylic acid benzyl ester
Database identifiers
- PubChem CID
- 24788694
- Nikkaji
- J2.943.402F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 10
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
7 records
Compound notes
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