Basic information
- Standard SMILES
CC(C)(C)OC(=O)Nc1cc(Oc2ccc3nc(NC(=O)C4CC4)nn3c2)ccc1Cl- InChIKey
PFKPIJYIPGTWMY-UHFFFAOYSA-N- Molecular formula
- C21H22ClN5O4
- Average molar mass
- 443.9 g/mol
Names & identifiers
- Preferred name
- Tert-butyl [2-chloro-5-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)phenyl]carbamate
- IUPAC
- tert-butyl N-[2-chloro-5-[[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]oxy]phenyl]carbamate
Names & synonyms
SCHEMBL13636159PFKPIJYIPGTWMY-UHFFFAOYSA-Ntert-butyl [2-chloro-5-({2-[(cyclopropylcarbonyl)amino][1,2,4]triazolo[1,5-a]pyridin-6-yl}oxy)phenyl]carbamate
Database identifiers
- PubChem CID
- 57749186
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 671
Related reactions
4 records
Compound notes
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