7-[6-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
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Basic information
- Standard SMILES
COc1ccc(CNc2ncnc3c2ccn3C2CC(CN(C)C3CC(CCc4nc5cc(C(F)(F)F)c(Cl)cc5[nH]4)C3)C3OC(C)(C)OC32)c(OC)c1- InChIKey
ZHXJKGFVKZVRJD-UHFFFAOYSA-N- Molecular formula
- C39H45ClF3N7O4
- Average molar mass
- 768.3 g/mol
- Monoisotopic mass
- 767.3173651
Names & identifiers
- IUPAC
- 7-[6-[[[3-[2-[5-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethyl]cyclobutyl]-methylamino]methyl]-2,2-dimethyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxol-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
Database identifiers
- PubChem CID
- 77353309
Properties
Computed structural propertiesFilling in
- XLogP
- 7.3
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 12
- Heavy atoms
- 54
- Formal charge
- 0
- Complexity
- 1,270
Related reactions
1 records
Compound notes
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