About N-[3-chloro-4-[4-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]piperazine-1-carbonyl]phenyl]-5-[4-(cyanomethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid
N-[3-chloro-4-[4-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]piperazine-1-carbonyl]phenyl]-5-[4-(cyanomethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 175833011) has the molecular formula C33H34ClF5N8O6
and a molecular weight of 769.13 g/mol. Its IUPAC name is N-[3-chloro-4-[4-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]piperazine-1-carbonyl]phenyl]-5-[4-(cyanomethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid.
Analyze N-[3-chloro-4-[4-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]piperazine-1-carbonyl]phenyl]-5-[4-(cyanomethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[3-chloro-4-[4-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]piperazine-1-carbonyl]phenyl]-5-[4-(cyanomethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[3-chloro-4-[4-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]piperazine-1-carbonyl]phenyl]-5-[4-(cyanomethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid (CID 175833011) is N-[3-chloro-4-[4-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]piperazine-1-carbonyl]phenyl]-5-[4-(cyanomethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[3-chloro-4-[4-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]piperazine-1-carbonyl]phenyl]-5-[4-(cyanomethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[3-chloro-4-[4-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]piperazine-1-carbonyl]phenyl]-5-[4-(cyanomethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid is Cn1c(-c2ccc(OCC#N)c(F)c2F)cnc1C(=O)Nc1ccc(C(=O)N2CCN(CCNC(=O)[C@H]3CCCN3)CC2)c(Cl)c1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[3-chloro-4-[4-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]piperazine-1-carbonyl]phenyl]-5-[4-(cyanomethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is ILEARLUCELXOBG-GNAFDRTKSA-N. The full InChI is InChI=1S/C31H33ClF2N8O4.C2HF3O2/c1-40-24(21-6-7-25(46-16-8-35)27(34)26(21)33)18-38-28(40)30(44)39-19-4-5-20(22(32)17-19)31(45)42-14-12-41(13-15-42)11-10-37-29(43)23-3-2-9-36-23;3-2(4,5)1(6)7/h4-7,17-18,23,36H,2-3,9-16H2,1H3,(H,37,43)(H,39,44);(H,6,7)/t23-;/m1./s1.
What are the key properties of N-[3-chloro-4-[4-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]piperazine-1-carbonyl]phenyl]-5-[4-(cyanomethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid?
N-[3-chloro-4-[4-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]piperazine-1-carbonyl]phenyl]-5-[4-(cyanomethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 769.13 g/mol, XLogP of 3.43, 10 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[4-[2-[[(2R)-pyrrolidine-2-carbonyl]amino]ethyl]piperazine-1-carbonyl]phenyl]-5-[4-(cyanomethoxy)-2,3-difluorophenyl]-1-methylimidazole-2-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175833011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).