About (2R,4R)-6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;N-[(3S)-4-[[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide
(2R,4R)-6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;N-[(3S)-4-[[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide (PubChem CID 163805968) has the molecular formula C121H121Cl7F5N15O28
and a molecular weight of 2576.54 g/mol. Its IUPAC name is (2R,4R)-6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;N-[(3S)-4-[[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide.
Frequently Asked Questions
What is the IUPAC name of (2R,4R)-6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;N-[(3S)-4-[[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of (2R,4R)-6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;N-[(3S)-4-[[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide (CID 163805968) is (2R,4R)-6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;N-[(3S)-4-[[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (2R,4R)-6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;N-[(3S)-4-[[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for (2R,4R)-6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;N-[(3S)-4-[[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide is CC(F)c1cc(C(=O)NC23CCC(NC(=O)[C@@H]4C[C@H](O)c5cc(Cl)ccc5O4)(CC2)[C@@H](O)C3)on1.CC(F)c1cc(C(=O)NC23CCC(NC(=O)[C@H]4C[C@@H](O)c5cc(Cl)ccc5O4)(CC2)[C@@H](O)C3)on1.CC(F)c1cnc(C(=O)CC23CC(NC(=O)C4CC(=O)c5cc(Cl)ccc5O4)(C2)C3)cn1.O=C(COc1ccc(Cl)c(F)c1)NC12CCC(NC(=O)C3CC(=O)c4cc(Cl)ccc4O3)(CC1)NC2=O.O=C(COc1ccc(Cl)c(F)c1)NC12CCC(NC(=O)[C@H]3C[C@@H](O)c4cc(Cl)ccc4O3)(CC1)NC2=O.
What is the InChIKey of (2R,4R)-6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;N-[(3S)-4-[[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is NJBRIEPFOQPVFQ-DOWVIBDCSA-N. The full InChI is InChI=1S/C25H24Cl2FN3O6.C25H22Cl2FN3O6.2C24H27ClFN3O6.C23H21ClFN3O4/c2*26-13-1-4-19-15(9-13)18(32)11-20(37-19)22(34)30-25-7-5-24(6-8-25,23(35)31-25)29-21(33)12-36-14-2-3-16(27)17(28)10-14;2*1-12(26)15-9-19(35-29-15)22(33)27-23-4-6-24(7-5-23,20(31)11-23)28-21(32)18-10-16(30)14-8-13(25)2-3-17(14)34-18;1-12(25)15-7-27-16(8-26-15)18(30)6-22-9-23(10-22,11-22)28-21(31)20-5-17(29)14-4-13(24)2-3-19(14)32-20/h1-4,9-10,18,20,32H,5-8,11-12H2,(H,29,33)(H,30,34)(H,31,35);1-4,9-10,20H,5-8,11-12H2,(H,29,33)(H,30,34)(H,31,35);2*2-3,8-9,12,16,18,20,30-31H,4-7,10-11H2,1H3,(H,27,33)(H,28,32);2-4,7-8,12,20H,5-6,9-11H2,1H3,(H,28,31)/t18-,20-,24?,25?;;12?,16-,18-,20+,23?,24?;12?,16-,18-,20-,23?,24?;/m1.10./s1.
What are the key properties of (2R,4R)-6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;N-[(3S)-4-[[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide?
(2R,4R)-6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;N-[(3S)-4-[[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 2576.54 g/mol, XLogP of 15.30, 28 rotatable bonds, 16 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-hydroxy-3,4-dihydro-2H-chromene-2-carboxamide;6-chloro-N-[4-[[2-(4-chloro-3-fluorophenoxy)acetyl]amino]-3-oxo-2-azabicyclo[2.2.2]octan-1-yl]-4-oxo-2,3-dihydrochromene-2-carboxamide;6-chloro-N-[3-[2-[5-(1-fluoroethyl)pyrazin-2-yl]-2-oxoethyl]-1-bicyclo[1.1.1]pentanyl]-4-oxo-2,3-dihydrochromene-2-carboxamide;N-[(3S)-4-[[(2S,4S)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide;N-[(3S)-4-[[(2R,4R)-6-chloro-4-hydroxy-3,4-dihydro-2H-chromene-2-carbonyl]amino]-3-hydroxy-1-bicyclo[2.2.2]octanyl]-3-(1-fluoroethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 163805968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).