5-(6-Amino-pyrimidin-4-yloxy)-2,3-dihydro-indole-1-carboxylic acid [3-(4-isopropylpiperazin-1-ylmethyl)-5-trifluoromethyl-phenyl]-amide
Basic information
- Standard SMILES
CC(C)N1CCN(Cc2cc(NC(=O)N3CCc4cc(Oc5cc(N)ncn5)ccc43)cc(C(F)(F)F)c2)CC1- InChIKey
STQKRJPFNGKHKA-UHFFFAOYSA-N- Molecular formula
- C28H32F3N7O2
- Average molar mass
- 555.6 g/mol
- Monoisotopic mass
- 555.25695778
Names & identifiers
- Preferred name
- 5-(6-Amino-pyrimidin-4-yloxy)-2,3-dihydro-indole-1-carboxylic acid [3-(4-isopropylpiperazin-1-ylmethyl)-5-trifluoromethyl-phenyl]-amide
- IUPAC
- 5-(6-aminopyrimidin-4-yl)oxy-N-[3-[(4-propan-2-ylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-2,3-dihydroindole-1-carboxamide
Names & synonyms
5-(6-Amino-pyrimidin-4-yloxy)-2,3-dihydro-indole-1-carboxylic acid [3-(4-isopropylpiperazin-1-ylmethyl)-5-trifluoromethyl-phenyl]-amideSCHEMBL12972284
Database identifiers
- PubChem CID
- 59596408
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 841
Related reactions
1 records
Compound notes
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