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Basic information
- Standard SMILES
CC(C)(C)c1cc(NC(=O)N[C@H]2CC[C@@H](Oc3ccc4nnc(N5CCCCC5)n4c3)c3ccccc32)n(-c2ccc(O)c(Cl)c2)n1- InChIKey
SCYAXANGMUAZSS-LMSSTIIKSA-N- Molecular formula
- C35H39ClN8O3
- Average molar mass
- 655.2 g/mol
- Monoisotopic mass
- 654.2833648
Names & identifiers
- Preferred name
- 1-[5-tert-Butyl-2-(3-chloro-4-hydroxy-phenyl)-2H-pyrazol-3-yl]-3-[(1S,4R)-4-(3-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-1,2,3,4-tetrahydro-naphthalen-1-yl]-urea
- IUPAC
- 1-[3-tert-butyl-1-(3-chloro-4-hydroxyphenyl)pyrazol-5-yl]-3-[(1S,4R)-4-[(3-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
Names & synonyms
SCHEMBL16279132SCYAXANGMUAZSS-LMSSTIIKSA-N1-[5-tert-Butyl-2-(3-chloro-4-hydroxy-phenyl)-2H-pyrazol-3-yl]-3-[(1S,4R)-4-(3-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yloxy)-1,2,3,4-tetrahydro-naphthalen-1-yl]-urea
Database identifiers
- PubChem CID
- 86344809
Properties
Computed structural propertiesFilling in
- XLogP
- 7.3
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 7
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,060
Related reactions
2 records
Compound notes
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