[(1S,3R)-3-[(3-ethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-(oxan-4-ylamino)-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone

C192H268F24N24O24 — CID 160654855

IUPAC[(1S,3R)-3-[(3-ethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-(oxan-4-ylamino)-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone
SMILESCC(C)[C@]1(C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)CC[C@@H](N(C)C2CCOCC2)C1.CC(C)[C@]1(C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)CC[C@@H](NC2CCOCC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C=C[C@@H](NC2CCOCC2)C1.CC1COCCC1N(C)[C@@H]1CC[C@@](C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)(C(C)C)C1.CC1COCCC1N[C@@H]1CC[C@@](C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)(C(C)C)C1.CCC1COCCC1N[C@@H]1CC[C@@](C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)(C(C)C)C1.COC1COCCC1N[C@@H]1C=C[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.COC1COCCC1N[C@@H]1CC[C@@](C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)(C(C)C)C1
InChIInChI=1S/2C25H36F3N3O3.C24H34F3N3O4.C24H34F3N3O3.C24H32F3N3O3.C24H34F3N3O3.C23H32F3N3O3.C23H30F3N3O2/c1-16(2)24(8-5-20(12-24)29(4)21-7-10-34-15-17(21)3)23(32)30-9-6-22-18(13-30)11-19(14-31(22)33)25(26,27)28;1-4-17-15-34-10-7-21(17)29-20-5-8-24(12-20,16(2)3)23(32)30-9-6-22-18(13-30)11-19(14-31(22)33)25(26,27)28;1-15(2)23(7-4-18(11-23)28-19-6-9-34-14-21(19)33-3)22(31)29-8-5-20-16(12-29)10-17(13-30(20)32)24(25,26)27;1-16(2)23(8-4-20(13-23)28(3)19-6-10-33-11-7-19)22(31)29-9-5-21-17(14-29)12-18(15-30(21)32)24(25,26)27;1-15(2)23(7-4-18(11-23)29-20-6-9-33-14-21(20)32-3)22(31)30-8-5-19-16(13-30)10-17(12-28-19)24(25,26)27;1-15(2)23(7-4-19(11-23)28-20-6-9-33-14-16(20)3)22(31)29-8-5-21-17(12-29)10-18(13-30(21)32)24(25,26)27;1-15(2)22(7-3-19(12-22)27-18-5-9-32-10-6-18)21(30)28-8-4-20-16(13-28)11-17(14-29(20)31)23(24,25)26;1-15(2)22(7-3-19(12-22)28-18-5-9-31-10-6-18)21(30)29-8-4-20-16(14-29)11-17(13-27-20)23(24,25)26/h11,14,16-17,20-21H,5-10,12-13,15H2,1-4H3;11,14,16-17,20-21,29H,4-10,12-13,15H2,1-3H3;10,13,15,18-19,21,28H,4-9,11-12,14H2,1-3H3;12,15-16,19-20H,4-11,13-14H2,1-3H3;4,7,10,12,15,18,20-21,29H,5-6,8-9,11,13-14H2,1-3H3;10,13,15-16,19-20,28H,4-9,11-12,14H2,1-3H3;11,14-15,18-19,27H,3-10,12-13H2,1-2H3;3,7,11,13,15,18-19,28H,4-6,8-10,12,14H2,1-2H3/t2*17?,20-,21?,24+;18-,19?,21?,23+;20-,23+;18-,20?,21?,23+;16?,19-,20?,23+;2*19-,22+/m11111111/s1
InChIKeyRKXHMZMKBGDSAP-MMDKMXFRSA-N
MW3752.35 g/mol
LogP27.63
Rot. Bonds35

About [(1S,3R)-3-[(3-ethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-(oxan-4-ylamino)-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone

[(1S,3R)-3-[(3-ethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-(oxan-4-ylamino)-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone (PubChem CID 160654855) has the molecular formula C192H268F24N24O24 and a molecular weight of 3752.35 g/mol. Its IUPAC name is [(1S,3R)-3-[(3-ethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-(oxan-4-ylamino)-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone.

Molecular Properties

Compound Name[(1S,3R)-3-[(3-ethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-(oxan-4-ylamino)-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone
PubChem CID160654855
Molecular FormulaC192H268F24N24O24
Molecular Weight3752.35 g/mol
Exact Mass3750.01
IUPAC Name[(1S,3R)-3-[(3-ethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-(oxan-4-ylamino)-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone
SMILESCC(C)[C@]1(C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)CC[C@@H](N(C)C2CCOCC2)C1.CC(C)[C@]1(C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)CC[C@@H](NC2CCOCC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C=C[C@@H](NC2CCOCC2)C1.CC1COCCC1N(C)[C@@H]1CC[C@@](C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)(C(C)C)C1.CC1COCCC1N[C@@H]1CC[C@@](C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)(C(C)C)C1.CCC1COCCC1N[C@@H]1CC[C@@](C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)(C(C)C)C1.COC1COCCC1N[C@@H]1C=C[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.COC1COCCC1N[C@@H]1CC[C@@](C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)(C(C)C)C1
InChIInChI=1S/2C25H36F3N3O3.C24H34F3N3O4.C24H34F3N3O3.C24H32F3N3O3.C24H34F3N3O3.C23H32F3N3O3.C23H30F3N3O2/c1-16(2)24(8-5-20(12-24)29(4)21-7-10-34-15-17(21)3)23(32)30-9-6-22-18(13-30)11-19(14-31(22)33)25(26,27)28;1-4-17-15-34-10-7-21(17)29-20-5-8-24(12-20,16(2)3)23(32)30-9-6-22-18(13-30)11-19(14-31(22)33)25(26,27)28;1-15(2)23(7-4-18(11-23)28-19-6-9-34-14-21(19)33-3)22(31)29-8-5-20-16(12-29)10-17(13-30(20)32)24(25,26)27;1-16(2)23(8-4-20(13-23)28(3)19-6-10-33-11-7-19)22(31)29-9-5-21-17(14-29)12-18(15-30(21)32)24(25,26)27;1-15(2)23(7-4-18(11-23)29-20-6-9-33-14-21(20)32-3)22(31)30-8-5-19-16(13-30)10-17(12-28-19)24(25,26)27;1-15(2)23(7-4-19(11-23)28-20-6-9-33-14-16(20)3)22(31)29-8-5-21-17(12-29)10-18(13-30(21)32)24(25,26)27;1-15(2)22(7-3-19(12-22)27-18-5-9-32-10-6-18)21(30)28-8-4-20-16(13-28)11-17(14-29(20)31)23(24,25)26;1-15(2)22(7-3-19(12-22)28-18-5-9-31-10-6-18)21(30)29-8-4-20-16(14-29)11-17(13-27-20)23(24,25)26/h11,14,16-17,20-21H,5-10,12-13,15H2,1-4H3;11,14,16-17,20-21,29H,4-10,12-13,15H2,1-3H3;10,13,15,18-19,21,28H,4-9,11-12,14H2,1-3H3;12,15-16,19-20H,4-11,13-14H2,1-3H3;4,7,10,12,15,18,20-21,29H,5-6,8-9,11,13-14H2,1-3H3;10,13,15-16,19-20,28H,4-9,11-12,14H2,1-3H3;11,14-15,18-19,27H,3-10,12-13H2,1-2H3;3,7,11,13,15,18-19,28H,4-6,8-10,12,14H2,1-2H3/t2*17?,20-,21?,24+;18-,19?,21?,23+;20-,23+;18-,20?,21?,23+;16?,19-,20?,23+;2*19-,22+/m11111111/s1
InChIKeyRKXHMZMKBGDSAP-MMDKMXFRSA-N
XLogP27.63
TPSA520.86 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds35
Heavy Atoms264
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003752.35
LogP ≤ 527.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Analyze [(1S,3R)-3-[(3-ethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-(oxan-4-ylamino)-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone with MolForge

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What is the IUPAC name of [(1S,3R)-3-[(3-ethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-(oxan-4-ylamino)-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone?
The IUPAC name of [(1S,3R)-3-[(3-ethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-(oxan-4-ylamino)-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone (CID 160654855) is [(1S,3R)-3-[(3-ethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-(oxan-4-ylamino)-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone.
What is the SMILES notation for [(1S,3R)-3-[(3-ethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-(oxan-4-ylamino)-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone?
The canonical SMILES for [(1S,3R)-3-[(3-ethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-(oxan-4-ylamino)-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone is CC(C)[C@]1(C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)CC[C@@H](N(C)C2CCOCC2)C1.CC(C)[C@]1(C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)CC[C@@H](NC2CCOCC2)C1.CC(C)[C@]1(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C=C[C@@H](NC2CCOCC2)C1.CC1COCCC1N(C)[C@@H]1CC[C@@](C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)(C(C)C)C1.CC1COCCC1N[C@@H]1CC[C@@](C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)(C(C)C)C1.CCC1COCCC1N[C@@H]1CC[C@@](C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)(C(C)C)C1.COC1COCCC1N[C@@H]1C=C[C@@](C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)(C(C)C)C1.COC1COCCC1N[C@@H]1CC[C@@](C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)(C(C)C)C1.
What is the InChIKey of [(1S,3R)-3-[(3-ethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-(oxan-4-ylamino)-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone?
The InChIKey is RKXHMZMKBGDSAP-MMDKMXFRSA-N. The full InChI is InChI=1S/2C25H36F3N3O3.C24H34F3N3O4.C24H34F3N3O3.C24H32F3N3O3.C24H34F3N3O3.C23H32F3N3O3.C23H30F3N3O2/c1-16(2)24(8-5-20(12-24)29(4)21-7-10-34-15-17(21)3)23(32)30-9-6-22-18(13-30)11-19(14-31(22)33)25(26,27)28;1-4-17-15-34-10-7-21(17)29-20-5-8-24(12-20,16(2)3)23(32)30-9-6-22-18(13-30)11-19(14-31(22)33)25(26,27)28;1-15(2)23(7-4-18(11-23)28-19-6-9-34-14-21(19)33-3)22(31)29-8-5-20-16(12-29)10-17(13-30(20)32)24(25,26)27;1-16(2)23(8-4-20(13-23)28(3)19-6-10-33-11-7-19)22(31)29-9-5-21-17(14-29)12-18(15-30(21)32)24(25,26)27;1-15(2)23(7-4-18(11-23)29-20-6-9-33-14-21(20)32-3)22(31)30-8-5-19-16(13-30)10-17(12-28-19)24(25,26)27;1-15(2)23(7-4-19(11-23)28-20-6-9-33-14-16(20)3)22(31)29-8-5-21-17(12-29)10-18(13-30(21)32)24(25,26)27;1-15(2)22(7-3-19(12-22)27-18-5-9-32-10-6-18)21(30)28-8-4-20-16(13-28)11-17(14-29(20)31)23(24,25)26;1-15(2)22(7-3-19(12-22)28-18-5-9-31-10-6-18)21(30)29-8-4-20-16(14-29)11-17(13-27-20)23(24,25)26/h11,14,16-17,20-21H,5-10,12-13,15H2,1-4H3;11,14,16-17,20-21,29H,4-10,12-13,15H2,1-3H3;10,13,15,18-19,21,28H,4-9,11-12,14H2,1-3H3;12,15-16,19-20H,4-11,13-14H2,1-3H3;4,7,10,12,15,18,20-21,29H,5-6,8-9,11,13-14H2,1-3H3;10,13,15-16,19-20,28H,4-9,11-12,14H2,1-3H3;11,14-15,18-19,27H,3-10,12-13H2,1-2H3;3,7,11,13,15,18-19,28H,4-6,8-10,12,14H2,1-2H3/t2*17?,20-,21?,24+;18-,19?,21?,23+;20-,23+;18-,20?,21?,23+;16?,19-,20?,23+;2*19-,22+/m11111111/s1.
What are the key properties of [(1S,3R)-3-[(3-ethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-(oxan-4-ylamino)-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone?
[(1S,3R)-3-[(3-ethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-(oxan-4-ylamino)-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone has a molecular weight of 3752.35 g/mol, XLogP of 27.63, 35 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-[(3-ethyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[(3-methyloxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-[methyl(oxan-4-yl)amino]-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,4S)-4-(oxan-4-ylamino)-1-propan-2-ylcyclopent-2-en-1-yl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-propan-2-ylcyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone is sourced from PubChem (CID 160654855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).