Basic information
- Standard SMILES
NC(=O)c1cc(-c2cnc(NCCN3CCNC3=O)nc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)ccc1F- InChIKey
FFQCMGNPCNVISP-QHCPKHFHSA-N- Molecular formula
- C34H30F9N9O3
- Average molar mass
- 783.6 g/mol
Names & identifiers
- Preferred name
- (S)-5-(4-(1-(2-(3-(difluoromethyl)-4,4,7,7-tetrafluoro-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamido)-2-(3,5-difluorophenyl)ethyl)-2-((2-(2-oxoimidazolidin-1-yl)ethyl)amino)pyrimidin-5-yl)-2-fluorobenzamide
- IUPAC
- 5-[4-[(1S)-1-[[2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-2-[2-(2-oxoimidazolidin-1-yl)ethylamino]pyrimidin-5-yl]-2-fluorobenzamide
Names & synonyms
SCHEMBL15875129FFQCMGNPCNVISP-QHCPKHFHSA-N(S)-5-(4-(1-(2-(3-(difluoromethyl)-4,4,7,7-tetrafluoro-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamido)-2-(3,5-difluorophenyl)ethyl)-2-((2-(2-oxoimidazolidin-1-yl)ethyl)amino)pyrimidin-5-yl)-2-fluorobenzamide
Database identifiers
- PubChem CID
- 90281172
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 160 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 13
- Heavy atoms
- 55
- Formal charge
- 0
- Complexity
- 1,360
Related reactions
1 records
Compound notes
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