About (3S)-3-[[5-[5-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(2-methoxyethoxy)-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;(3S)-3-[[5-[3-(2-methoxyethylamino)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-[(3R)-3-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile
(3S)-3-[[5-[5-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(2-methoxyethoxy)-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;(3S)-3-[[5-[3-(2-methoxyethylamino)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-[(3R)-3-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile (PubChem CID 158151927) has the molecular formula C143H121F4N31O16
and a molecular weight of 2605.73 g/mol. Its IUPAC name is (3S)-3-[[5-[5-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(2-methoxyethoxy)-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;(3S)-3-[[5-[3-(2-methoxyethylamino)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-[(3R)-3-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of (3S)-3-[[5-[5-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(2-methoxyethoxy)-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;(3S)-3-[[5-[3-(2-methoxyethylamino)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-[(3R)-3-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile?
The IUPAC name of (3S)-3-[[5-[5-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(2-methoxyethoxy)-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;(3S)-3-[[5-[3-(2-methoxyethylamino)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-[(3R)-3-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile (CID 158151927) is (3S)-3-[[5-[5-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(2-methoxyethoxy)-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;(3S)-3-[[5-[3-(2-methoxyethylamino)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-[(3R)-3-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile.
What is the SMILES notation for (3S)-3-[[5-[5-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(2-methoxyethoxy)-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;(3S)-3-[[5-[3-(2-methoxyethylamino)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-[(3R)-3-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile?
The canonical SMILES for (3S)-3-[[5-[5-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(2-methoxyethoxy)-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;(3S)-3-[[5-[3-(2-methoxyethylamino)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-[(3R)-3-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile is COCCNc1cc(C(F)(F)F)cnc1-c1nnc(N[C@H]2N=C(c3ccccc3)c3ccccc3CC2=O)o1.COCCOc1cc(C#N)ccc1-c1nnc(N[C@H]2N=C(c3ccccc3)c3ccccc3CC2=O)o1.C[C@@H]1COCCN1c1cc(C#N)cnc1-c1nnc(N[C@H]2N=C(c3ccccc3)c3ccccc3CC2=O)o1.N#Cc1cnc(-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)c(N2CC3CCC(C2)O3)c1.O=C1Cc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2ncc(F)cc2N2CC3CCC(C2)O3)o1.
What is the InChIKey of (3S)-3-[[5-[5-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(2-methoxyethoxy)-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;(3S)-3-[[5-[3-(2-methoxyethylamino)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-[(3R)-3-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile?
The InChIKey is FVFGQJXBHKMTSO-FESROBKISA-N. The full InChI is InChI=1S/C30H25N7O3.C29H25FN6O3.C29H25N7O3.C28H23N5O4.C27H23F3N6O3/c31-14-18-12-24(37-16-21-10-11-22(17-37)39-21)27(32-15-18)29-35-36-30(40-29)34-28-25(38)13-20-8-4-5-9-23(20)26(33-28)19-6-2-1-3-7-19;30-19-13-23(36-15-20-10-11-21(16-36)38-20)26(31-14-19)28-34-35-29(39-28)33-27-24(37)12-18-8-4-5-9-22(18)25(32-27)17-6-2-1-3-7-17;1-18-17-38-12-11-36(18)23-13-19(15-30)16-31-26(23)28-34-35-29(39-28)33-27-24(37)14-21-9-5-6-10-22(21)25(32-27)20-7-3-2-4-8-20;1-35-13-14-36-24-15-18(17-29)11-12-22(24)27-32-33-28(37-27)31-26-23(34)16-20-9-5-6-10-21(20)25(30-26)19-7-3-2-4-8-19;1-38-12-11-31-20-14-18(27(28,29)30)15-32-23(20)25-35-36-26(39-25)34-24-21(37)13-17-9-5-6-10-19(17)22(33-24)16-7-3-2-4-8-16/h1-9,12,15,21-22,28H,10-11,13,16-17H2,(H,34,36);1-9,13-14,20-21,27H,10-12,15-16H2,(H,33,35);2-10,13,16,18,27H,11-12,14,17H2,1H3,(H,33,35);2-12,15,26H,13-14,16H2,1H3,(H,31,33);2-10,14-15,24,31H,11-13H2,1H3,(H,34,36)/t21?,22?,28-;20?,21?,27-;18-,27-;26-;24-/m11111/s1.
What are the key properties of (3S)-3-[[5-[5-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(2-methoxyethoxy)-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;(3S)-3-[[5-[3-(2-methoxyethylamino)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-[(3R)-3-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile?
(3S)-3-[[5-[5-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(2-methoxyethoxy)-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;(3S)-3-[[5-[3-(2-methoxyethylamino)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-[(3R)-3-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile has a molecular weight of 2605.73 g/mol, XLogP of 20.08, 31 rotatable bonds, 6 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[5-[5-fluoro-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(2-methoxyethoxy)-4-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]benzonitrile;(3S)-3-[[5-[3-(2-methoxyethylamino)-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;5-[(3R)-3-methylmorpholin-4-yl]-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile;5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-6-[5-[[(3S)-4-oxo-1-phenyl-3,5-dihydro-2-benzazepin-3-yl]amino]-1,3,4-oxadiazol-2-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 158151927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).