[(1R,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoro-1-hydroxyethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1R,3R)-3-(oxan-4-ylamino)-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

C161H203F42N21O20 — CID 158391323

IUPAC[(1R,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoro-1-hydroxyethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1R,3R)-3-(oxan-4-ylamino)-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCC1COCCC1N(C)[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)C1.CC1COCCC1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)C1.CN(C1CCOCC1)[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)C1.COC1COCCC1N[C@@H]1CC[C@](CCC(F)(F)F)(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1.O=C(N1CCc2c(cc(C(F)(F)F)c[n+]2[O-])C1)[C@@]1(CC(F)(F)F)CC[C@@H](NC2CCOCC2)C1.O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]1(C(O)C(F)(F)F)CC[C@@H](NC2CCOCC2)C1.O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]1(CCC(F)(F)F)CC[C@@H](NC2CCOCC2)C1
InChIInChI=1S/2C24H31F6N3O3.2C23H29F6N3O3.C23H29F6N3O2.2C22H27F6N3O3/c1-15-13-36-8-5-19(15)31(2)18-3-6-22(10-18,14-23(25,26)27)21(34)32-7-4-20-16(11-32)9-17(12-33(20)35)24(28,29)30;1-35-20-14-36-9-4-19(20)32-17-2-5-22(11-17,6-7-23(25,26)27)21(34)33-8-3-18-15(13-33)10-16(12-31-18)24(28,29)30;1-30(17-4-8-35-9-5-17)18-2-6-21(11-18,14-22(24,25)26)20(33)31-7-3-19-15(12-31)10-16(13-32(19)34)23(27,28)29;1-14-12-35-7-4-18(14)30-17-2-5-21(9-17,13-22(24,25)26)20(33)31-6-3-19-15(10-31)8-16(11-32(19)34)23(27,28)29;24-22(25,26)7-6-21(5-1-18(12-21)31-17-3-9-34-10-4-17)20(33)32-8-2-19-15(14-32)11-16(13-30-19)23(27,28)29;23-21(24,25)13-20(5-1-17(10-20)29-16-3-7-34-8-4-16)19(32)30-6-2-18-14(11-30)9-15(12-31(18)33)22(26,27)28;23-21(24,25)14-9-13-12-31(6-2-17(13)29-11-14)19(33)20(18(32)22(26,27)28)5-1-16(10-20)30-15-3-7-34-8-4-15/h9,12,15,18-19H,3-8,10-11,13-14H2,1-2H3;10,12,17,19-20,32H,2-9,11,13-14H2,1H3;10,13,17-18H,2-9,11-12,14H2,1H3;8,11,14,17-18,30H,2-7,9-10,12-13H2,1H3;11,13,17-18,31H,1-10,12,14H2;9,12,16-17,29H,1-8,10-11,13H2;9,11,15-16,18,30,32H,1-8,10,12H2/t15?,18-,19?,22+;17-,19?,20?,22-;18-,21+;14?,17-,18?,21+;18-,21-;17-,20+;16-,18?,20+/m1111111/s1
InChIKeyGWZOXNFBOGCXRC-JFLQBNTMSA-N
MW3550.44 g/mol
LogP27.22
Rot. Bonds31

About [(1R,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoro-1-hydroxyethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1R,3R)-3-(oxan-4-ylamino)-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone

[(1R,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoro-1-hydroxyethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1R,3R)-3-(oxan-4-ylamino)-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (PubChem CID 158391323) has the molecular formula C161H203F42N21O20 and a molecular weight of 3550.44 g/mol. Its IUPAC name is [(1R,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoro-1-hydroxyethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1R,3R)-3-(oxan-4-ylamino)-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.

Molecular Properties

Compound Name[(1R,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoro-1-hydroxyethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1R,3R)-3-(oxan-4-ylamino)-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
PubChem CID158391323
Molecular FormulaC161H203F42N21O20
Molecular Weight3550.44 g/mol
Exact Mass3548.48
IUPAC Name[(1R,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoro-1-hydroxyethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1R,3R)-3-(oxan-4-ylamino)-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone
SMILESCC1COCCC1N(C)[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)C1.CC1COCCC1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)C1.CN(C1CCOCC1)[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)C1.COC1COCCC1N[C@@H]1CC[C@](CCC(F)(F)F)(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1.O=C(N1CCc2c(cc(C(F)(F)F)c[n+]2[O-])C1)[C@@]1(CC(F)(F)F)CC[C@@H](NC2CCOCC2)C1.O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]1(C(O)C(F)(F)F)CC[C@@H](NC2CCOCC2)C1.O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]1(CCC(F)(F)F)CC[C@@H](NC2CCOCC2)C1
InChIInChI=1S/2C24H31F6N3O3.2C23H29F6N3O3.C23H29F6N3O2.2C22H27F6N3O3/c1-15-13-36-8-5-19(15)31(2)18-3-6-22(10-18,14-23(25,26)27)21(34)32-7-4-20-16(11-32)9-17(12-33(20)35)24(28,29)30;1-35-20-14-36-9-4-19(20)32-17-2-5-22(11-17,6-7-23(25,26)27)21(34)33-8-3-18-15(13-33)10-16(12-31-18)24(28,29)30;1-30(17-4-8-35-9-5-17)18-2-6-21(11-18,14-22(24,25)26)20(33)31-7-3-19-15(12-31)10-16(13-32(19)34)23(27,28)29;1-14-12-35-7-4-18(14)30-17-2-5-21(9-17,13-22(24,25)26)20(33)31-6-3-19-15(10-31)8-16(11-32(19)34)23(27,28)29;24-22(25,26)7-6-21(5-1-18(12-21)31-17-3-9-34-10-4-17)20(33)32-8-2-19-15(14-32)11-16(13-30-19)23(27,28)29;23-21(24,25)13-20(5-1-17(10-20)29-16-3-7-34-8-4-16)19(32)30-6-2-18-14(11-30)9-15(12-31(18)33)22(26,27)28;23-21(24,25)14-9-13-12-31(6-2-17(13)29-11-14)19(33)20(18(32)22(26,27)28)5-1-16(10-20)30-15-3-7-34-8-4-15/h9,12,15,18-19H,3-8,10-11,13-14H2,1-2H3;10,12,17,19-20,32H,2-9,11,13-14H2,1H3;10,13,17-18H,2-9,11-12,14H2,1H3;8,11,14,17-18,30H,2-7,9-10,12-13H2,1H3;11,13,17-18,31H,1-10,12,14H2;9,12,16-17,29H,1-8,10-11,13H2;9,11,15-16,18,30,32H,1-8,10,12H2/t15?,18-,19?,22+;17-,19?,20?,22-;18-,21+;14?,17-,18?,21+;18-,21-;17-,20+;16-,18?,20+/m1111111/s1
InChIKeyGWZOXNFBOGCXRC-JFLQBNTMSA-N
XLogP27.22
TPSA449.30 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds31
Heavy Atoms244
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003550.44
LogP ≤ 527.22
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Analyze [(1R,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoro-1-hydroxyethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1R,3R)-3-(oxan-4-ylamino)-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoro-1-hydroxyethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1R,3R)-3-(oxan-4-ylamino)-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The IUPAC name of [(1R,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoro-1-hydroxyethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1R,3R)-3-(oxan-4-ylamino)-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone (CID 158391323) is [(1R,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoro-1-hydroxyethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1R,3R)-3-(oxan-4-ylamino)-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone.
What is the SMILES notation for [(1R,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoro-1-hydroxyethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1R,3R)-3-(oxan-4-ylamino)-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The canonical SMILES for [(1R,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoro-1-hydroxyethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1R,3R)-3-(oxan-4-ylamino)-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is CC1COCCC1N(C)[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)C1.CC1COCCC1N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)C1.CN(C1CCOCC1)[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCc3c(cc(C(F)(F)F)c[n+]3[O-])C2)C1.COC1COCCC1N[C@@H]1CC[C@](CCC(F)(F)F)(C(=O)N2CCc3ncc(C(F)(F)F)cc3C2)C1.O=C(N1CCc2c(cc(C(F)(F)F)c[n+]2[O-])C1)[C@@]1(CC(F)(F)F)CC[C@@H](NC2CCOCC2)C1.O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]1(C(O)C(F)(F)F)CC[C@@H](NC2CCOCC2)C1.O=C(N1CCc2ncc(C(F)(F)F)cc2C1)[C@@]1(CCC(F)(F)F)CC[C@@H](NC2CCOCC2)C1.
What is the InChIKey of [(1R,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoro-1-hydroxyethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1R,3R)-3-(oxan-4-ylamino)-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
The InChIKey is GWZOXNFBOGCXRC-JFLQBNTMSA-N. The full InChI is InChI=1S/2C24H31F6N3O3.2C23H29F6N3O3.C23H29F6N3O2.2C22H27F6N3O3/c1-15-13-36-8-5-19(15)31(2)18-3-6-22(10-18,14-23(25,26)27)21(34)32-7-4-20-16(11-32)9-17(12-33(20)35)24(28,29)30;1-35-20-14-36-9-4-19(20)32-17-2-5-22(11-17,6-7-23(25,26)27)21(34)33-8-3-18-15(13-33)10-16(12-31-18)24(28,29)30;1-30(17-4-8-35-9-5-17)18-2-6-21(11-18,14-22(24,25)26)20(33)31-7-3-19-15(12-31)10-16(13-32(19)34)23(27,28)29;1-14-12-35-7-4-18(14)30-17-2-5-21(9-17,13-22(24,25)26)20(33)31-6-3-19-15(10-31)8-16(11-32(19)34)23(27,28)29;24-22(25,26)7-6-21(5-1-18(12-21)31-17-3-9-34-10-4-17)20(33)32-8-2-19-15(14-32)11-16(13-30-19)23(27,28)29;23-21(24,25)13-20(5-1-17(10-20)29-16-3-7-34-8-4-16)19(32)30-6-2-18-14(11-30)9-15(12-31(18)33)22(26,27)28;23-21(24,25)14-9-13-12-31(6-2-17(13)29-11-14)19(33)20(18(32)22(26,27)28)5-1-16(10-20)30-15-3-7-34-8-4-15/h9,12,15,18-19H,3-8,10-11,13-14H2,1-2H3;10,12,17,19-20,32H,2-9,11,13-14H2,1H3;10,13,17-18H,2-9,11-12,14H2,1H3;8,11,14,17-18,30H,2-7,9-10,12-13H2,1H3;11,13,17-18,31H,1-10,12,14H2;9,12,16-17,29H,1-8,10-11,13H2;9,11,15-16,18,30,32H,1-8,10,12H2/t15?,18-,19?,22+;17-,19?,20?,22-;18-,21+;14?,17-,18?,21+;18-,21-;17-,20+;16-,18?,20+/m1111111/s1.
What are the key properties of [(1R,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoro-1-hydroxyethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1R,3R)-3-(oxan-4-ylamino)-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone?
[(1R,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoro-1-hydroxyethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1R,3R)-3-(oxan-4-ylamino)-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone has a molecular weight of 3550.44 g/mol, XLogP of 27.22, 31 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,3R)-3-[(3-methoxyoxan-4-yl)amino]-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1S,3R)-3-[methyl-(3-methyloxan-4-yl)amino]-1-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[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-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentyl]-[1-oxido-3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-1-ium-6-yl]methanone;[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoro-1-hydroxyethyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone;[(1R,3R)-3-(oxan-4-ylamino)-1-(3,3,3-trifluoropropyl)cyclopentyl]-[3-(trifluoromethyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methanone is sourced from PubChem (CID 158391323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).