About (3S)-3-[[5-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[3-[(3R)-3-methylmorpholin-4-yl]-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-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-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one
(3S)-3-[[5-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[3-[(3R)-3-methylmorpholin-4-yl]-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-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-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one (PubChem CID 158883286) has the molecular formula C144H121F9N30O15
and a molecular weight of 2682.73 g/mol. Its IUPAC name is (3S)-3-[[5-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[3-[(3R)-3-methylmorpholin-4-yl]-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-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-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one.
Frequently Asked Questions
What is the IUPAC name of (3S)-3-[[5-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[3-[(3R)-3-methylmorpholin-4-yl]-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-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-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one?
The IUPAC name of (3S)-3-[[5-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[3-[(3R)-3-methylmorpholin-4-yl]-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-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-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one (CID 158883286) is (3S)-3-[[5-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[3-[(3R)-3-methylmorpholin-4-yl]-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-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-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one.
What is the SMILES notation for (3S)-3-[[5-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[3-[(3R)-3-methylmorpholin-4-yl]-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-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-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one?
The canonical SMILES for (3S)-3-[[5-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[3-[(3R)-3-methylmorpholin-4-yl]-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-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-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one is COc1ccc(-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)c(N2CCOCC2)n1.C[C@@H]1COCCN1c1cc(C(F)(F)F)cnc1-c1nnc(N[C@H]2N=C(c3ccccc3)c3ccccc3CC2=O)o1.N#Cc1ccc(-c2nnc(N[C@H]3N=C(c4ccccc4)c4ccccc4CC3=O)o2)c(N2C3CCC2COC3)c1.O=C1Cc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2cnc(C(F)(F)F)nc2N2CC3CCC(C2)O3)o1.O=C1Cc2ccccc2C(c2ccccc2)=N[C@@H]1Nc1nnc(-c2ncc(C(F)(F)F)cc2C2CC2)o1.
What is the InChIKey of (3S)-3-[[5-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[3-[(3R)-3-methylmorpholin-4-yl]-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-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-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one?
The InChIKey is JDHIDFADVPAVJC-LWQLHEFJSA-N. The full InChI is InChI=1S/C31H26N6O3.C29H24F3N7O3.C29H25F3N6O3.C28H26N6O4.C27H20F3N5O2/c32-16-19-10-13-25(26(14-19)37-22-11-12-23(37)18-39-17-22)30-35-36-31(40-30)34-29-27(38)15-21-8-4-5-9-24(21)28(33-29)20-6-2-1-3-7-20;30-29(31,32)27-33-13-21(25(36-27)39-14-18-10-11-19(15-39)41-18)26-37-38-28(42-26)35-24-22(40)12-17-8-4-5-9-20(17)23(34-24)16-6-2-1-3-7-16;1-17-16-40-12-11-38(17)22-14-20(29(30,31)32)15-33-25(22)27-36-37-28(41-27)35-26-23(39)13-19-9-5-6-10-21(19)24(34-26)18-7-3-2-4-8-18;1-36-23-12-11-21(26(29-23)34-13-15-37-16-14-34)27-32-33-28(38-27)31-25-22(35)17-19-9-5-6-10-20(19)24(30-25)18-7-3-2-4-8-18;28-27(29,30)18-13-20(15-10-11-15)23(31-14-18)25-34-35-26(37-25)33-24-21(36)12-17-8-4-5-9-19(17)22(32-24)16-6-2-1-3-7-16/h1-10,13-14,22-23,29H,11-12,15,17-18H2,(H,34,36);1-9,13,18-19,24H,10-12,14-15H2,(H,35,38);2-10,14-15,17,26H,11-13,16H2,1H3,(H,35,37);2-12,25H,13-17H2,1H3,(H,31,33);1-9,13-15,24H,10-12H2,(H,33,35)/t22?,23?,29-;18?,19?,24-;17-,26-;25-;24-/m11111/s1.
What are the key properties of (3S)-3-[[5-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[3-[(3R)-3-methylmorpholin-4-yl]-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-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-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one?
(3S)-3-[[5-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[3-[(3R)-3-methylmorpholin-4-yl]-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-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-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one has a molecular weight of 2682.73 g/mol, XLogP of 22.27, 26 rotatable bonds, 5 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[5-[3-cyclopropyl-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-(6-methoxy-2-morpholin-4-yl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;(3S)-3-[[5-[3-[(3R)-3-methylmorpholin-4-yl]-5-(trifluoromethyl)-2-pyridinyl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one;3-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)-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-[4-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-2-(trifluoromethyl)pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]amino]-1-phenyl-3,5-dihydro-2-benzazepin-4-one is sourced from PubChem (CID 158883286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).