5-[[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

C164H145F6N27O21 — CID 163523451

IUPAC5-[[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCN(C)Cc1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)cc(C(F)(F)F)c1.COc1cccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.COc1ncc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c(OC)n1.Cc1ccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)cc1.Cc1ccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)cc1.O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5cccc(C(F)(F)F)c5)[nH]3)CO4)ccnc2N1
InChIInChI=1S/C30H28F3N5O3.C27H21F3N4O3.C27H24N4O4.2C27H24N4O3.C26H24N6O5/c1-38(2)15-17-9-18(12-21(10-17)30(31,32)33)24-14-35-28(36-24)20-11-19-13-22(3-5-25(19)40-16-20)41-26-7-8-34-29-23(26)4-6-27(39)37-29;28-27(29,30)18-3-1-2-15(11-18)21-13-32-25(33-21)17-10-16-12-19(4-6-22(16)36-14-17)37-23-8-9-31-26-20(23)5-7-24(35)34-26;1-33-19-4-2-3-16(12-19)22-14-29-26(30-22)18-11-17-13-20(5-7-23(17)34-15-18)35-24-9-10-28-27-21(24)6-8-25(32)31-27;2*1-16-2-4-17(5-3-16)22-14-29-26(30-22)19-12-18-13-20(6-8-23(18)33-15-19)34-24-10-11-28-27-21(24)7-9-25(32)31-27;1-34-25-18(11-29-26(32-25)35-2)19-12-28-23(30-19)15-9-14-10-16(3-5-20(14)36-13-15)37-21-7-8-27-24-17(21)4-6-22(33)31-24/h3,5,7-10,12-14,20H,4,6,11,15-16H2,1-2H3,(H,35,36)(H,34,37,39);1-4,6,8-9,11-13,17H,5,7,10,14H2,(H,32,33)(H,31,34,35);2-5,7,9-10,12-14,18H,6,8,11,15H2,1H3,(H,29,30)(H,28,31,32);2*2-6,8,10-11,13-14,19H,7,9,12,15H2,1H3,(H,29,30)(H,28,31,32);3,5,7-8,10-12,15H,4,6,9,13H2,1-2H3,(H,28,30)(H,27,31,33)
InChIKeyDMUHRIBKBFDEOD-UHFFFAOYSA-N
MW2944.12 g/mol
LogP30.74
Rot. Bonds29

About 5-[[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one

5-[[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (PubChem CID 163523451) has the molecular formula C164H145F6N27O21 and a molecular weight of 2944.12 g/mol. Its IUPAC name is 5-[[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name5-[[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
PubChem CID163523451
Molecular FormulaC164H145F6N27O21
Molecular Weight2944.12 g/mol
Exact Mass2942.10
IUPAC Name5-[[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
SMILESCN(C)Cc1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)cc(C(F)(F)F)c1.COc1cccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.COc1ncc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c(OC)n1.Cc1ccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)cc1.Cc1ccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)cc1.O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5cccc(C(F)(F)F)c5)[nH]3)CO4)ccnc2N1
InChIInChI=1S/C30H28F3N5O3.C27H21F3N4O3.C27H24N4O4.2C27H24N4O3.C26H24N6O5/c1-38(2)15-17-9-18(12-21(10-17)30(31,32)33)24-14-35-28(36-24)20-11-19-13-22(3-5-25(19)40-16-20)41-26-7-8-34-29-23(26)4-6-27(39)37-29;28-27(29,30)18-3-1-2-15(11-18)21-13-32-25(33-21)17-10-16-12-19(4-6-22(16)36-14-17)37-23-8-9-31-26-20(23)5-7-24(35)34-26;1-33-19-4-2-3-16(12-19)22-14-29-26(30-22)18-11-17-13-20(5-7-23(17)34-15-18)35-24-9-10-28-27-21(24)6-8-25(32)31-27;2*1-16-2-4-17(5-3-16)22-14-29-26(30-22)19-12-18-13-20(6-8-23(18)33-15-19)34-24-10-11-28-27-21(24)7-9-25(32)31-27;1-34-25-18(11-29-26(32-25)35-2)19-12-28-23(30-19)15-9-14-10-16(3-5-20(14)36-13-15)37-21-7-8-27-24-17(21)4-6-22(33)31-24/h3,5,7-10,12-14,20H,4,6,11,15-16H2,1-2H3,(H,35,36)(H,34,37,39);1-4,6,8-9,11-13,17H,5,7,10,14H2,(H,32,33)(H,31,34,35);2-5,7,9-10,12-14,18H,6,8,11,15H2,1H3,(H,29,30)(H,28,31,32);2*2-6,8,10-11,13-14,19H,7,9,12,15H2,1H3,(H,29,30)(H,28,31,32);3,5,7-8,10-12,15H,4,6,9,13H2,1-2H3,(H,28,30)(H,27,31,33)
InChIKeyDMUHRIBKBFDEOD-UHFFFAOYSA-N
XLogP30.74
TPSA591.49 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds29
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002944.12
LogP ≤ 530.74
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze 5-[[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one with MolForge

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Related Compounds

methyl N-[(1S)-1-(4,4-difluorocyclohexyl)-2-[(2S)-2-[5-[(6S)-3-[2-[(2S)-1-[(2S)-2-(4,4-difluorocyclohexyl)-2-(methoxycarbonylamino)acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-6-phenyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxoethyl]carbamate
CID 155518802
US10183939, Example 11
CID 118948407
1-[3-[7-(4-Amino-5-fluoropyrimidin-2-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-5,5-difluorohexan-2-one;5,5-difluoro-1-[3-propan-2-yloxy-5-(7-pyrimidin-2-ylimidazo[1,2-a]pyridin-3-yl)phenyl]hexan-2-one;1-[3-[7-(5,6-dimethyl-2-pyridinyl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea;1-[3-[7-(2,6-dimethylpyrimidin-4-yl)imidazo[1,2-a]pyridin-3-yl]-5-propan-2-yloxyphenyl]-3-(2,2,2-trifluoroethyl)urea
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CID 157541293
CID 157541293
CID 157687373
CID 157687373
5-[[1-[5-(2-chlorophenyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[1-(2-hydroxyethyl)-5-(trifluoromethyl)benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-phenyl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5-pyridin-4-yl-1H-imidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[5-(trifluoromethyl)-1H-imidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
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5-[[1-(6-chloro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(5,6-difluoro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(3H-imidazo[4,5-c]pyridin-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(6-methyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
CID 157806316
CID 157835602
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5-[[(1S,1aR,6bR)-1-[3-[4-(4-ethylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[3-[4-(4-methylpiperazin-1-yl)-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-(2-oxotridecyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;1-[(1S,1aR,6bR)-5-pyrimidin-4-yloxy-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3-(2,4-difluorophenyl)propan-2-one
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5-[[(1S,1aR,6bR)-1-[3-(2,4-difluorophenyl)-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[3-[2-fluoro-5-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-[3-[4-methoxy-3-(trifluoromethyl)phenyl]-2-oxopropyl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[(1S,1aR,6bR)-1-(2-oxo-3-pyrimidin-4-ylpropyl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
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5-[[1-(6-tert-butyl-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-(4-fluoro-1H-benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[1-[1-methyl-6-(trifluoromethyl)benzimidazol-2-yl]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;2-[5-[(7-oxo-6,8-dihydro-5H-1,8-naphthyridin-4-yl)oxy]-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl]-3H-benzimidazole-5-carboxamide;5-[[1-(3,5,6,7-tetrahydrocyclopenta[f]benzimidazol-2-yl)-1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-5-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one
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CID 158454169

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The IUPAC name of 5-[[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one (CID 163523451) is 5-[[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one.
What is the SMILES notation for 5-[[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The canonical SMILES for 5-[[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is CN(C)Cc1cc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)cc(C(F)(F)F)c1.COc1cccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c1.COc1ncc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)c(OC)n1.Cc1ccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)cc1.Cc1ccc(-c2cnc(C3COc4ccc(Oc5ccnc6c5CCC(=O)N6)cc4C3)[nH]2)cc1.O=C1CCc2c(Oc3ccc4c(c3)CC(c3ncc(-c5cccc(C(F)(F)F)c5)[nH]3)CO4)ccnc2N1.
What is the InChIKey of 5-[[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
The InChIKey is DMUHRIBKBFDEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28F3N5O3.C27H21F3N4O3.C27H24N4O4.2C27H24N4O3.C26H24N6O5/c1-38(2)15-17-9-18(12-21(10-17)30(31,32)33)24-14-35-28(36-24)20-11-19-13-22(3-5-25(19)40-16-20)41-26-7-8-34-29-23(26)4-6-27(39)37-29;28-27(29,30)18-3-1-2-15(11-18)21-13-32-25(33-21)17-10-16-12-19(4-6-22(16)36-14-17)37-23-8-9-31-26-20(23)5-7-24(35)34-26;1-33-19-4-2-3-16(12-19)22-14-29-26(30-22)18-11-17-13-20(5-7-23(17)34-15-18)35-24-9-10-28-27-21(24)6-8-25(32)31-27;2*1-16-2-4-17(5-3-16)22-14-29-26(30-22)19-12-18-13-20(6-8-23(18)33-15-19)34-24-10-11-28-27-21(24)7-9-25(32)31-27;1-34-25-18(11-29-26(32-25)35-2)19-12-28-23(30-19)15-9-14-10-16(3-5-20(14)36-13-15)37-21-7-8-27-24-17(21)4-6-22(33)31-24/h3,5,7-10,12-14,20H,4,6,11,15-16H2,1-2H3,(H,35,36)(H,34,37,39);1-4,6,8-9,11-13,17H,5,7,10,14H2,(H,32,33)(H,31,34,35);2-5,7,9-10,12-14,18H,6,8,11,15H2,1H3,(H,29,30)(H,28,31,32);2*2-6,8,10-11,13-14,19H,7,9,12,15H2,1H3,(H,29,30)(H,28,31,32);3,5,7-8,10-12,15H,4,6,9,13H2,1-2H3,(H,28,30)(H,27,31,33).
What are the key properties of 5-[[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one?
5-[[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one has a molecular weight of 2944.12 g/mol, XLogP of 30.74, 29 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-[5-(2,4-dimethoxypyrimidin-5-yl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;5-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one;bis(5-[[3-[5-(4-methylphenyl)-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one);5-[[3-[5-[3-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3,4-dihydro-1H-1,8-naphthyridin-2-one is sourced from PubChem (CID 163523451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).