5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide;1-[3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1H-indole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methylfuran-3-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylimidazole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea

C239H208Cl2F14N40O23S — CID 162299234

IUPAC5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide;1-[3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1H-indole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methylfuran-3-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylimidazole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)Nc3cccc(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc4ccccc4[nH]3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3ccc(C(C)(C)C)o3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3ccoc3C)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3conc3C)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3nccn3C)ccc1C)c(=O)n2C.Cc1ccc(NC(=O)Nc2nccs2)cc1-c1cc2cnc(Cl)cc2n(C)c1=O
InChIInChI=1S/C26H22N4O2.C26H27N3O3.C25H20ClF3N4O2.2C25H20F4N4O2.C25H21F3N4O2.C23H21N3O3.C22H21N5O2.C22H20N4O3.C20H16ClN5O2S/c1-15-8-9-19(28-25(31)23-12-17-6-4-5-7-22(17)29-23)13-20(15)21-11-18-14-27-16(2)10-24(18)30(3)26(21)32;1-15-7-8-18(28-24(30)22-9-10-23(32-22)26(3,4)5)13-19(15)20-12-17-14-27-16(2)11-21(17)29(6)25(20)31;1-13-4-5-16(31-24(35)32-17-6-7-21(26)20(11-17)25(27,28)29)10-18(13)19-9-15-12-30-14(2)8-22(15)33(3)23(19)34;1-13-4-5-18(31-24(35)32-19-9-16(25(27,28)29)8-17(26)10-19)11-20(13)21-7-15-12-30-14(2)6-22(15)33(3)23(21)34;1-13-4-5-16(31-24(35)32-17-6-7-21(26)20(11-17)25(27,28)29)10-18(13)19-9-15-12-30-14(2)8-22(15)33(3)23(19)34;1-14-7-8-19(31-24(34)30-18-6-4-5-17(11-18)25(26,27)28)12-20(14)21-10-16-13-29-15(2)9-22(16)32(3)23(21)33;1-13-5-6-17(25-22(27)18-7-8-29-15(18)3)11-19(13)20-10-16-12-24-14(2)9-21(16)26(4)23(20)28;1-13-5-6-16(25-21(28)20-23-7-8-26(20)3)11-17(13)18-10-15-12-24-14(2)9-19(15)27(4)22(18)29;1-12-5-6-16(24-21(27)19-11-29-25-14(19)3)9-17(12)18-8-15-10-23-13(2)7-20(15)26(4)22(18)28;1-11-3-4-13(24-19(28)25-20-22-5-6-29-20)8-14(11)15-7-12-10-23-17(21)9-16(12)26(2)18(15)27/h4-14,29H,1-3H3,(H,28,31);7-14H,1-6H3,(H,28,30);3*4-12H,1-3H3,(H2,31,32,35);4-13H,1-3H3,(H2,30,31,34);5-12H,1-4H3,(H,25,27);5-12H,1-4H3,(H,25,28);5-11H,1-4H3,(H,24,27);3-10H,1-2H3,(H2,22,24,25,28)
InChIKeyKMCWHWMGVJWIGY-UHFFFAOYSA-N
MW4377.49 g/mol
LogP50.77
Rot. Bonds30

About 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide;1-[3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1H-indole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methylfuran-3-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylimidazole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea

5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide;1-[3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1H-indole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methylfuran-3-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylimidazole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea (PubChem CID 162299234) has the molecular formula C239H208Cl2F14N40O23S and a molecular weight of 4377.49 g/mol. Its IUPAC name is 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide;1-[3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1H-indole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methylfuran-3-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylimidazole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide;1-[3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1H-indole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methylfuran-3-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylimidazole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
PubChem CID162299234
Molecular FormulaC239H208Cl2F14N40O23S
Molecular Weight4377.49 g/mol
Exact Mass4373.52
IUPAC Name5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide;1-[3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1H-indole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methylfuran-3-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylimidazole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
SMILESCc1cc2c(cn1)cc(-c1cc(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)Nc3cccc(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc4ccccc4[nH]3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3ccc(C(C)(C)C)o3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3ccoc3C)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3conc3C)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3nccn3C)ccc1C)c(=O)n2C.Cc1ccc(NC(=O)Nc2nccs2)cc1-c1cc2cnc(Cl)cc2n(C)c1=O
InChIInChI=1S/C26H22N4O2.C26H27N3O3.C25H20ClF3N4O2.2C25H20F4N4O2.C25H21F3N4O2.C23H21N3O3.C22H21N5O2.C22H20N4O3.C20H16ClN5O2S/c1-15-8-9-19(28-25(31)23-12-17-6-4-5-7-22(17)29-23)13-20(15)21-11-18-14-27-16(2)10-24(18)30(3)26(21)32;1-15-7-8-18(28-24(30)22-9-10-23(32-22)26(3,4)5)13-19(15)20-12-17-14-27-16(2)11-21(17)29(6)25(20)31;1-13-4-5-16(31-24(35)32-17-6-7-21(26)20(11-17)25(27,28)29)10-18(13)19-9-15-12-30-14(2)8-22(15)33(3)23(19)34;1-13-4-5-18(31-24(35)32-19-9-16(25(27,28)29)8-17(26)10-19)11-20(13)21-7-15-12-30-14(2)6-22(15)33(3)23(21)34;1-13-4-5-16(31-24(35)32-17-6-7-21(26)20(11-17)25(27,28)29)10-18(13)19-9-15-12-30-14(2)8-22(15)33(3)23(19)34;1-14-7-8-19(31-24(34)30-18-6-4-5-17(11-18)25(26,27)28)12-20(14)21-10-16-13-29-15(2)9-22(16)32(3)23(21)33;1-13-5-6-17(25-22(27)18-7-8-29-15(18)3)11-19(13)20-10-16-12-24-14(2)9-21(16)26(4)23(20)28;1-13-5-6-16(25-21(28)20-23-7-8-26(20)3)11-17(13)18-10-15-12-24-14(2)9-19(15)27(4)22(18)29;1-12-5-6-16(24-21(27)19-11-29-25-14(19)3)9-17(12)18-8-15-10-23-13(2)7-20(15)26(4)22(18)28;1-11-3-4-13(24-19(28)25-20-22-5-6-29-20)8-14(11)15-7-12-10-23-17(21)9-16(12)26(2)18(15)27/h4-14,29H,1-3H3,(H,28,31);7-14H,1-6H3,(H,28,30);3*4-12H,1-3H3,(H2,31,32,35);4-13H,1-3H3,(H2,30,31,34);5-12H,1-4H3,(H,25,27);5-12H,1-4H3,(H,25,28);5-11H,1-4H3,(H,24,27);3-10H,1-2H3,(H2,22,24,25,28)
InChIKeyKMCWHWMGVJWIGY-UHFFFAOYSA-N
XLogP50.77
TPSA798.86 Ų
H-Bond Donors16
H-Bond Acceptors48
Rotatable Bonds30
Heavy Atoms319
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004377.49
LogP ≤ 550.77
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1048

Analyze 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide;1-[3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1H-indole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methylfuran-3-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylimidazole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide;1-[3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1H-indole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methylfuran-3-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylimidazole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The IUPAC name of 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide;1-[3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1H-indole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methylfuran-3-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylimidazole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea (CID 162299234) is 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide;1-[3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1H-indole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methylfuran-3-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylimidazole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide;1-[3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1H-indole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methylfuran-3-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylimidazole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide;1-[3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1H-indole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methylfuran-3-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylimidazole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea is Cc1cc2c(cn1)cc(-c1cc(NC(=O)Nc3cc(F)cc(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)Nc3cccc(C(F)(F)F)c3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3cc4ccccc4[nH]3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3ccc(C(C)(C)C)o3)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3ccoc3C)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3conc3C)ccc1C)c(=O)n2C.Cc1cc2c(cn1)cc(-c1cc(NC(=O)c3nccn3C)ccc1C)c(=O)n2C.Cc1ccc(NC(=O)Nc2nccs2)cc1-c1cc2cnc(Cl)cc2n(C)c1=O.
What is the InChIKey of 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide;1-[3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1H-indole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methylfuran-3-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylimidazole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
The InChIKey is KMCWHWMGVJWIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22N4O2.C26H27N3O3.C25H20ClF3N4O2.2C25H20F4N4O2.C25H21F3N4O2.C23H21N3O3.C22H21N5O2.C22H20N4O3.C20H16ClN5O2S/c1-15-8-9-19(28-25(31)23-12-17-6-4-5-7-22(17)29-23)13-20(15)21-11-18-14-27-16(2)10-24(18)30(3)26(21)32;1-15-7-8-18(28-24(30)22-9-10-23(32-22)26(3,4)5)13-19(15)20-12-17-14-27-16(2)11-21(17)29(6)25(20)31;1-13-4-5-16(31-24(35)32-17-6-7-21(26)20(11-17)25(27,28)29)10-18(13)19-9-15-12-30-14(2)8-22(15)33(3)23(19)34;1-13-4-5-18(31-24(35)32-19-9-16(25(27,28)29)8-17(26)10-19)11-20(13)21-7-15-12-30-14(2)6-22(15)33(3)23(21)34;1-13-4-5-16(31-24(35)32-17-6-7-21(26)20(11-17)25(27,28)29)10-18(13)19-9-15-12-30-14(2)8-22(15)33(3)23(19)34;1-14-7-8-19(31-24(34)30-18-6-4-5-17(11-18)25(26,27)28)12-20(14)21-10-16-13-29-15(2)9-22(16)32(3)23(21)33;1-13-5-6-17(25-22(27)18-7-8-29-15(18)3)11-19(13)20-10-16-12-24-14(2)9-21(16)26(4)23(20)28;1-13-5-6-16(25-21(28)20-23-7-8-26(20)3)11-17(13)18-10-15-12-24-14(2)9-19(15)27(4)22(18)29;1-12-5-6-16(24-21(27)19-11-29-25-14(19)3)9-17(12)18-8-15-10-23-13(2)7-20(15)26(4)22(18)28;1-11-3-4-13(24-19(28)25-20-22-5-6-29-20)8-14(11)15-7-12-10-23-17(21)9-16(12)26(2)18(15)27/h4-14,29H,1-3H3,(H,28,31);7-14H,1-6H3,(H,28,30);3*4-12H,1-3H3,(H2,31,32,35);4-13H,1-3H3,(H2,30,31,34);5-12H,1-4H3,(H,25,27);5-12H,1-4H3,(H,25,28);5-11H,1-4H3,(H,24,27);3-10H,1-2H3,(H2,22,24,25,28).
What are the key properties of 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide;1-[3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1H-indole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methylfuran-3-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylimidazole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea?
5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide;1-[3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1H-indole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methylfuran-3-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylimidazole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea has a molecular weight of 4377.49 g/mol, XLogP of 50.77, 30 rotatable bonds, 16 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]furan-2-carboxamide;1-[3-(7-chloro-1-methyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-(1,3-thiazol-2-yl)urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-fluoro-5-(trifluoromethyl)phenyl]urea;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]urea;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1H-indole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-2-methylfuran-3-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-1-methylimidazole-2-carboxamide;N-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-methyl-1,2-oxazole-4-carboxamide;1-[3-(1,7-dimethyl-2-oxo-1,6-naphthyridin-3-yl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 162299234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).