Basic information
- Standard SMILES
CC(C)N1CCC(c2nc3cc(-c4ccc(Cl)cc4Cl)nc(N4CCCC(Nc5ccc(C(=O)C(F)(F)F)c(N)n5)C4)n3n2)CC1- InChIKey
BDXKOEIPHNYGSJ-UHFFFAOYSA-N- Molecular formula
- C31H34Cl2F3N9O
- Average molar mass
- 676.6 g/mol
- Monoisotopic mass
- 675.2215466
Names & identifiers
- Preferred name
- 1-[2-Amino-6-[[1-[7-(2,4-dichlorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]piperidin-3-yl]amino]pyridin-3-yl]-2,2,2-trifluoroethanone
- IUPAC
- 1-[2-amino-6-[[1-[7-(2,4-dichlorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]piperidin-3-yl]amino]-3-pyridinyl]-2,2,2-trifluoroethanone
Names & synonyms
SCHEMBL1962175BDXKOEIPHNYGSJ-UHFFFAOYSA-N1-[2-amino-6-[[1-[7-(2,4-dichlorophenyl)-2-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[1,5-c]pyrimidin-5-yl]piperidin-3-yl]amino]pyridin-3-yl]-2,2,2-trifluoroethanone
Database identifiers
- PubChem CID
- 44480366
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 7
- Heavy atoms
- 46
- Formal charge
- 0
- Complexity
- 1,040
Related reactions
1 records
Compound notes
Loading…