About methyl N-[2-[2-[5-[4-[4-[[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
methyl N-[2-[2-[5-[4-[4-[[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate (PubChem CID 126605784) has the molecular formula C40H47F3N8O6
and a molecular weight of 792.86 g/mol. Its IUPAC name is methyl N-[2-[2-[5-[4-[4-[[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate.
Analyze methyl N-[2-[2-[5-[4-[4-[[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate with MolForge
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Frequently Asked Questions
What is the IUPAC name of methyl N-[2-[2-[5-[4-[4-[[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The IUPAC name of methyl N-[2-[2-[5-[4-[4-[[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate (CID 126605784) is methyl N-[2-[2-[5-[4-[4-[[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate.
What is the SMILES notation for methyl N-[2-[2-[5-[4-[4-[[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The canonical SMILES for methyl N-[2-[2-[5-[4-[4-[[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate is COC(=O)NCC(=O)N1CCCC1c1ncc(-c2ccc(-c3ccc(NC(=O)N4CC5CCC(C4)N5C4CCN(C(=O)C5CC5)CC4)cc3OC(F)(F)F)cc2)[nH]1.
What is the InChIKey of methyl N-[2-[2-[5-[4-[4-[[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate?
The InChIKey is RTOYKDGDLVUDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H47F3N8O6/c1-56-39(55)45-21-35(52)50-16-2-3-33(50)36-44-20-32(47-36)25-6-4-24(5-7-25)31-13-10-27(19-34(31)57-40(41,42)43)46-38(54)49-22-29-11-12-30(23-49)51(29)28-14-17-48(18-15-28)37(53)26-8-9-26/h4-7,10,13,19-20,26,28-30,33H,2-3,8-9,11-12,14-18,21-23H2,1H3,(H,44,47)(H,45,55)(H,46,54).
What are the key properties of methyl N-[2-[2-[5-[4-[4-[[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate?
methyl N-[2-[2-[5-[4-[4-[[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate has a molecular weight of 792.86 g/mol, XLogP of 5.74, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[2-[2-[5-[4-[4-[[8-[1-(cyclopropanecarbonyl)piperidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-3-carbonyl]amino]-2-(trifluoromethoxy)phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate is sourced from PubChem (CID 126605784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).