[(1S,3R)-3-[[2-(chloromethyl)-3-hydroxy-2-methylpropyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 2-methyl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;ethyl 2-propan-2-yl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;[(1S,3R)-3-(3-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(4-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methyloxetan-3-yl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoic acid

C234H337ClF30N30O24 — CID 158137793

IUPAC[(1S,3R)-3-[[2-(chloromethyl)-3-hydroxy-2-methylpropyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 2-methyl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;ethyl 2-propan-2-yl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;[(1S,3R)-3-(3-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(4-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methyloxetan-3-yl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoic acid
SMILESCC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NCC(C)(CO)CCl)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NCC2(C)COC2)C1.CC(CC(=O)O)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CC(CC(C)(C)O)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CC(CCO)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CC(CO)C(C)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CC(O)C(C)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CCOC(=O)C(C(C)C)C(C)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CCOC(=O)C(C)C(C)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.COC(=O)CC(C)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1
InChIInChI=1S/C27H40F3N3O3.C25H36F3N3O3.C24H36F3N3O2.C23H33ClF3N3O2.C23H32F3N3O3.C23H32F3N3O2.C23H34F3N3O2.C22H30F3N3O3.2C22H32F3N3O2/c1-7-36-24(34)23(16(2)3)18(6)32-21-8-10-26(13-21,17(4)5)25(35)33-11-9-22-19(15-33)12-20(14-31-22)27(28,29)30;1-6-34-22(32)16(4)17(5)30-20-7-9-24(12-20,15(2)3)23(33)31-10-8-21-18(14-31)11-19(13-29-21)25(26,27)28;1-15(2)23(8-6-19(12-23)29-16(3)11-22(4,5)32)21(31)30-9-7-20-17(14-30)10-18(13-28-20)24(25,26)27;1-15(2)22(6-4-18(9-22)29-13-21(3,12-24)14-31)20(32)30-7-5-19-16(11-30)8-17(10-28-19)23(25,26)27;1-14(2)22(7-5-18(11-22)28-15(3)9-20(30)32-4)21(31)29-8-6-19-16(13-29)10-17(12-27-19)23(24,25)26;1-15(2)22(6-4-18(9-22)28-12-21(3)13-31-14-21)20(30)29-7-5-19-16(11-29)8-17(10-27-19)23(24,25)26;1-14(2)22(7-5-19(10-22)28-16(4)15(3)13-30)21(31)29-8-6-20-17(12-29)9-18(11-27-20)23(24,25)26;1-13(2)21(6-4-17(10-21)27-14(3)8-19(29)30)20(31)28-7-5-18-15(12-28)9-16(11-26-18)22(23,24)25;1-13(2)21(7-5-18(10-21)27-14(3)15(4)29)20(30)28-8-6-19-16(12-28)9-17(11-26-19)22(23,24)25;1-14(2)21(7-4-18(11-21)27-15(3)6-9-29)20(30)28-8-5-19-16(13-28)10-17(12-26-19)22(23,24)25/h12,14,16-18,21,23,32H,7-11,13,15H2,1-6H3;11,13,15-17,20,30H,6-10,12,14H2,1-5H3;10,13,15-16,19,29,32H,6-9,11-12,14H2,1-5H3;8,10,15,18,29,31H,4-7,9,11-14H2,1-3H3;10,12,14-15,18,28H,5-9,11,13H2,1-4H3;8,10,15,18,28H,4-7,9,11-14H2,1-3H3;9,11,14-16,19,28,30H,5-8,10,12-13H2,1-4H3;9,11,13-14,17,27H,4-8,10,12H2,1-3H3,(H,29,30);9,11,13-15,18,27,29H,5-8,10,12H2,1-4H3;10,12,14-15,18,27,29H,4-9,11,13H2,1-3H3/t18?,21-,23?,26+;16?,17?,20-,24+;16?,19-,23+;18-,21?,22+;15?,18-,22+;18-,22+;15?,16?,19-,22+;14?,17-,21+;14?,15?,18-,21+;15?,18-,21+/m1111111111/s1
InChIKeyFTOGTWHKIZPJLV-WYSYLBHTSA-N
MW4559.85 g/mol
LogP39.70
Rot. Bonds62

About [(1S,3R)-3-[[2-(chloromethyl)-3-hydroxy-2-methylpropyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 2-methyl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;ethyl 2-propan-2-yl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;[(1S,3R)-3-(3-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(4-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methyloxetan-3-yl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoic acid

[(1S,3R)-3-[[2-(chloromethyl)-3-hydroxy-2-methylpropyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 2-methyl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;ethyl 2-propan-2-yl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;[(1S,3R)-3-(3-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(4-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methyloxetan-3-yl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoic acid (PubChem CID 158137793) has the molecular formula C234H337ClF30N30O24 and a molecular weight of 4559.85 g/mol. Its IUPAC name is [(1S,3R)-3-[[2-(chloromethyl)-3-hydroxy-2-methylpropyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 2-methyl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;ethyl 2-propan-2-yl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;[(1S,3R)-3-(3-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(4-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methyloxetan-3-yl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoic acid.

Molecular Properties

Compound Name[(1S,3R)-3-[[2-(chloromethyl)-3-hydroxy-2-methylpropyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 2-methyl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;ethyl 2-propan-2-yl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;[(1S,3R)-3-(3-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(4-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methyloxetan-3-yl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoic acid
PubChem CID158137793
Molecular FormulaC234H337ClF30N30O24
Molecular Weight4559.85 g/mol
Exact Mass4556.53
IUPAC Name[(1S,3R)-3-[[2-(chloromethyl)-3-hydroxy-2-methylpropyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 2-methyl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;ethyl 2-propan-2-yl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;[(1S,3R)-3-(3-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(4-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methyloxetan-3-yl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoic acid
SMILESCC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NCC(C)(CO)CCl)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NCC2(C)COC2)C1.CC(CC(=O)O)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CC(CC(C)(C)O)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CC(CCO)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CC(CO)C(C)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CC(O)C(C)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CCOC(=O)C(C(C)C)C(C)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CCOC(=O)C(C)C(C)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.COC(=O)CC(C)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1
InChIInChI=1S/C27H40F3N3O3.C25H36F3N3O3.C24H36F3N3O2.C23H33ClF3N3O2.C23H32F3N3O3.C23H32F3N3O2.C23H34F3N3O2.C22H30F3N3O3.2C22H32F3N3O2/c1-7-36-24(34)23(16(2)3)18(6)32-21-8-10-26(13-21,17(4)5)25(35)33-11-9-22-19(15-33)12-20(14-31-22)27(28,29)30;1-6-34-22(32)16(4)17(5)30-20-7-9-24(12-20,15(2)3)23(33)31-10-8-21-18(14-31)11-19(13-29-21)25(26,27)28;1-15(2)23(8-6-19(12-23)29-16(3)11-22(4,5)32)21(31)30-9-7-20-17(14-30)10-18(13-28-20)24(25,26)27;1-15(2)22(6-4-18(9-22)29-13-21(3,12-24)14-31)20(32)30-7-5-19-16(11-30)8-17(10-28-19)23(25,26)27;1-14(2)22(7-5-18(11-22)28-15(3)9-20(30)32-4)21(31)29-8-6-19-16(13-29)10-17(12-27-19)23(24,25)26;1-15(2)22(6-4-18(9-22)28-12-21(3)13-31-14-21)20(30)29-7-5-19-16(11-29)8-17(10-27-19)23(24,25)26;1-14(2)22(7-5-19(10-22)28-16(4)15(3)13-30)21(31)29-8-6-20-17(12-29)9-18(11-27-20)23(24,25)26;1-13(2)21(6-4-17(10-21)27-14(3)8-19(29)30)20(31)28-7-5-18-15(12-28)9-16(11-26-18)22(23,24)25;1-13(2)21(7-5-18(10-21)27-14(3)15(4)29)20(30)28-8-6-19-16(12-28)9-17(11-26-19)22(23,24)25;1-14(2)21(7-4-18(11-21)27-15(3)6-9-29)20(30)28-8-5-19-16(13-28)10-17(12-26-19)22(23,24)25/h12,14,16-18,21,23,32H,7-11,13,15H2,1-6H3;11,13,15-17,20,30H,6-10,12,14H2,1-5H3;10,13,15-16,19,29,32H,6-9,11-12,14H2,1-5H3;8,10,15,18,29,31H,4-7,9,11-14H2,1-3H3;10,12,14-15,18,28H,5-9,11,13H2,1-4H3;8,10,15,18,28H,4-7,9,11-14H2,1-3H3;9,11,14-16,19,28,30H,5-8,10,12-13H2,1-4H3;9,11,13-14,17,27H,4-8,10,12H2,1-3H3,(H,29,30);9,11,13-15,18,27,29H,5-8,10,12H2,1-4H3;10,12,14-15,18,27,29H,4-9,11,13H2,1-3H3/t18?,21-,23?,26+;16?,17?,20-,24+;16?,19-,23+;18-,21?,22+;15?,18-,22+;18-,22+;15?,16?,19-,22+;14?,17-,21+;14?,15?,18-,21+;15?,18-,21+/m1111111111/s1
InChIKeyFTOGTWHKIZPJLV-WYSYLBHTSA-N
XLogP39.70
TPSA678.88 Ų
H-Bond Donors16
H-Bond Acceptors43
Rotatable Bonds62
Heavy Atoms319
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004559.85
LogP ≤ 539.70
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1043

Analyze [(1S,3R)-3-[[2-(chloromethyl)-3-hydroxy-2-methylpropyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 2-methyl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;ethyl 2-propan-2-yl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;[(1S,3R)-3-(3-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(4-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methyloxetan-3-yl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-[[2-(chloromethyl)-3-hydroxy-2-methylpropyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 2-methyl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;ethyl 2-propan-2-yl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;[(1S,3R)-3-(3-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(4-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methyloxetan-3-yl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoic acid?
The IUPAC name of [(1S,3R)-3-[[2-(chloromethyl)-3-hydroxy-2-methylpropyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 2-methyl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;ethyl 2-propan-2-yl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;[(1S,3R)-3-(3-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(4-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methyloxetan-3-yl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoic acid (CID 158137793) is [(1S,3R)-3-[[2-(chloromethyl)-3-hydroxy-2-methylpropyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 2-methyl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;ethyl 2-propan-2-yl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;[(1S,3R)-3-(3-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(4-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methyloxetan-3-yl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoic acid.
What is the SMILES notation for [(1S,3R)-3-[[2-(chloromethyl)-3-hydroxy-2-methylpropyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 2-methyl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;ethyl 2-propan-2-yl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;[(1S,3R)-3-(3-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(4-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methyloxetan-3-yl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoic acid?
The canonical SMILES for [(1S,3R)-3-[[2-(chloromethyl)-3-hydroxy-2-methylpropyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 2-methyl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;ethyl 2-propan-2-yl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;[(1S,3R)-3-(3-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(4-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methyloxetan-3-yl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoic acid is CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NCC(C)(CO)CCl)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)CC[C@@H](NCC2(C)COC2)C1.CC(CC(=O)O)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CC(CC(C)(C)O)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CC(CCO)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CC(CO)C(C)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CC(O)C(C)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CCOC(=O)C(C(C)C)C(C)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.CCOC(=O)C(C)C(C)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.COC(=O)CC(C)N[C@@H]1CC[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.
What is the InChIKey of [(1S,3R)-3-[[2-(chloromethyl)-3-hydroxy-2-methylpropyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 2-methyl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;ethyl 2-propan-2-yl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;[(1S,3R)-3-(3-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(4-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methyloxetan-3-yl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoic acid?
The InChIKey is FTOGTWHKIZPJLV-WYSYLBHTSA-N. The full InChI is InChI=1S/C27H40F3N3O3.C25H36F3N3O3.C24H36F3N3O2.C23H33ClF3N3O2.C23H32F3N3O3.C23H32F3N3O2.C23H34F3N3O2.C22H30F3N3O3.2C22H32F3N3O2/c1-7-36-24(34)23(16(2)3)18(6)32-21-8-10-26(13-21,17(4)5)25(35)33-11-9-22-19(15-33)12-20(14-31-22)27(28,29)30;1-6-34-22(32)16(4)17(5)30-20-7-9-24(12-20,15(2)3)23(33)31-10-8-21-18(14-31)11-19(13-29-21)25(26,27)28;1-15(2)23(8-6-19(12-23)29-16(3)11-22(4,5)32)21(31)30-9-7-20-17(14-30)10-18(13-28-20)24(25,26)27;1-15(2)22(6-4-18(9-22)29-13-21(3,12-24)14-31)20(32)30-7-5-19-16(11-30)8-17(10-28-19)23(25,26)27;1-14(2)22(7-5-18(11-22)28-15(3)9-20(30)32-4)21(31)29-8-6-19-16(13-29)10-17(12-27-19)23(24,25)26;1-15(2)22(6-4-18(9-22)28-12-21(3)13-31-14-21)20(30)29-7-5-19-16(11-29)8-17(10-27-19)23(24,25)26;1-14(2)22(7-5-19(10-22)28-16(4)15(3)13-30)21(31)29-8-6-20-17(12-29)9-18(11-27-20)23(24,25)26;1-13(2)21(6-4-17(10-21)27-14(3)8-19(29)30)20(31)28-7-5-18-15(12-28)9-16(11-26-18)22(23,24)25;1-13(2)21(7-5-18(10-21)27-14(3)15(4)29)20(30)28-8-6-19-16(12-28)9-17(11-26-19)22(23,24)25;1-14(2)21(7-4-18(11-21)27-15(3)6-9-29)20(30)28-8-5-19-16(13-28)10-17(12-26-19)22(23,24)25/h12,14,16-18,21,23,32H,7-11,13,15H2,1-6H3;11,13,15-17,20,30H,6-10,12,14H2,1-5H3;10,13,15-16,19,29,32H,6-9,11-12,14H2,1-5H3;8,10,15,18,29,31H,4-7,9,11-14H2,1-3H3;10,12,14-15,18,28H,5-9,11,13H2,1-4H3;8,10,15,18,28H,4-7,9,11-14H2,1-3H3;9,11,14-16,19,28,30H,5-8,10,12-13H2,1-4H3;9,11,13-14,17,27H,4-8,10,12H2,1-3H3,(H,29,30);9,11,13-15,18,27,29H,5-8,10,12H2,1-4H3;10,12,14-15,18,27,29H,4-9,11,13H2,1-3H3/t18?,21-,23?,26+;16?,17?,20-,24+;16?,19-,23+;18-,21?,22+;15?,18-,22+;18-,22+;15?,16?,19-,22+;14?,17-,21+;14?,15?,18-,21+;15?,18-,21+/m1111111111/s1.
What are the key properties of [(1S,3R)-3-[[2-(chloromethyl)-3-hydroxy-2-methylpropyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 2-methyl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;ethyl 2-propan-2-yl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;[(1S,3R)-3-(3-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(4-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methyloxetan-3-yl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoic acid?
[(1S,3R)-3-[[2-(chloromethyl)-3-hydroxy-2-methylpropyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 2-methyl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;ethyl 2-propan-2-yl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;[(1S,3R)-3-(3-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(4-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methyloxetan-3-yl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoic acid has a molecular weight of 4559.85 g/mol, XLogP of 39.70, 62 rotatable bonds, 16 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[[2-(chloromethyl)-3-hydroxy-2-methylpropyl]amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;ethyl 2-methyl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;ethyl 2-propan-2-yl-3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;[(1S,3R)-3-(3-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(4-hydroxybutan-2-ylamino)-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-3-methylbutan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(4-hydroxy-4-methylpentan-2-yl)amino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methyloxetan-3-yl)methylamino]-1-propan-2-ylcyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;methyl 3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoate;3-[[(1R,3S)-3-propan-2-yl-3-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carbonyl]cyclopentyl]amino]butanoic acid is sourced from PubChem (CID 158137793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).