3-bromo-2-methylprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-2-enyl)-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;methane;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(2-methylprop-2-enylamino)pyridine-2-carboxylate

C127H140Br6ClF5N10O21 — CID 161236860

IUPAC3-bromo-2-methylprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-2-enyl)-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;methane;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(2-methylprop-2-enylamino)pyridine-2-carboxylate
SMILESC.C=C(C)CBr.C=C(C)CN(C(=O)OC(C)(C)C)c1c(C(=O)OC(C)C)ncc(Cc2ccc(F)cc2)c1Br.C=C(C)CNc1c(C(=O)OC(C)C)ncc(Cc2ccc(F)cc2)c1Br.C=C(C)Cn1c(=O)c(C(=O)OCC)c(O)c2ncc(Cc3ccc(F)cc3)c(Br)c21.C=C(C)Cn1c(=O)c(C(=O)OCC)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c(Br)c21.CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)c(Br)c1NC(=O)OC(C)(C)C.CCOC(=O)CC(=O)Cl
InChIInChI=1S/C29H26BrFN2O4.C25H30BrFN2O4.C22H20BrFN2O4.C21H24BrFN2O4.C20H22BrFN2O2.C5H7ClO3.C4H7Br.CH4/c1-4-36-29(35)23-27(37-17-20-8-6-5-7-9-20)25-26(33(28(23)34)16-18(2)3)24(30)21(15-32-25)14-19-10-12-22(31)13-11-19;1-15(2)14-29(24(31)33-25(5,6)7)22-20(26)18(12-17-8-10-19(27)11-9-17)13-28-21(22)23(30)32-16(3)4;1-4-30-22(29)16-20(27)18-19(26(21(16)28)11-12(2)3)17(23)14(10-25-18)9-13-5-7-15(24)8-6-13;1-12(2)28-19(26)18-17(25-20(27)29-21(3,4)5)16(22)14(11-24-18)10-13-6-8-15(23)9-7-13;1-12(2)10-23-18-17(21)15(9-14-5-7-16(22)8-6-14)11-24-19(18)20(25)26-13(3)4;1-2-9-5(8)3-4(6)7;1-4(2)3-5;/h5-13,15H,2,4,14,16-17H2,1,3H3;8-11,13,16H,1,12,14H2,2-7H3;5-8,10,27H,2,4,9,11H2,1,3H3;6-9,11-12H,10H2,1-5H3,(H,25,27);5-8,11,13,23H,1,9-10H2,2-4H3;2-3H2,1H3;1,3H2,2H3;1H4
InChIKeyUZMGVFDFIZYGNX-UHFFFAOYSA-N
MW2752.43 g/mol
LogP30.94
Rot. Bonds38

About 3-bromo-2-methylprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-2-enyl)-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;methane;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(2-methylprop-2-enylamino)pyridine-2-carboxylate

3-bromo-2-methylprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-2-enyl)-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;methane;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(2-methylprop-2-enylamino)pyridine-2-carboxylate (PubChem CID 161236860) has the molecular formula C127H140Br6ClF5N10O21 and a molecular weight of 2752.43 g/mol. Its IUPAC name is 3-bromo-2-methylprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-2-enyl)-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;methane;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(2-methylprop-2-enylamino)pyridine-2-carboxylate.

Molecular Properties

Compound Name3-bromo-2-methylprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-2-enyl)-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;methane;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(2-methylprop-2-enylamino)pyridine-2-carboxylate
PubChem CID161236860
Molecular FormulaC127H140Br6ClF5N10O21
Molecular Weight2752.43 g/mol
Exact Mass2744.49
IUPAC Name3-bromo-2-methylprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-2-enyl)-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;methane;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(2-methylprop-2-enylamino)pyridine-2-carboxylate
SMILESC.C=C(C)CBr.C=C(C)CN(C(=O)OC(C)(C)C)c1c(C(=O)OC(C)C)ncc(Cc2ccc(F)cc2)c1Br.C=C(C)CNc1c(C(=O)OC(C)C)ncc(Cc2ccc(F)cc2)c1Br.C=C(C)Cn1c(=O)c(C(=O)OCC)c(O)c2ncc(Cc3ccc(F)cc3)c(Br)c21.C=C(C)Cn1c(=O)c(C(=O)OCC)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c(Br)c21.CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)c(Br)c1NC(=O)OC(C)(C)C.CCOC(=O)CC(=O)Cl
InChIInChI=1S/C29H26BrFN2O4.C25H30BrFN2O4.C22H20BrFN2O4.C21H24BrFN2O4.C20H22BrFN2O2.C5H7ClO3.C4H7Br.CH4/c1-4-36-29(35)23-27(37-17-20-8-6-5-7-9-20)25-26(33(28(23)34)16-18(2)3)24(30)21(15-32-25)14-19-10-12-22(31)13-11-19;1-15(2)14-29(24(31)33-25(5,6)7)22-20(26)18(12-17-8-10-19(27)11-9-17)13-28-21(22)23(30)32-16(3)4;1-4-30-22(29)16-20(27)18-19(26(21(16)28)11-12(2)3)17(23)14(10-25-18)9-13-5-7-15(24)8-6-13;1-12(2)28-19(26)18-17(25-20(27)29-21(3,4)5)16(22)14(11-24-18)10-13-6-8-15(23)9-7-13;1-12(2)10-23-18-17(21)15(9-14-5-7-16(22)8-6-14)11-24-19(18)20(25)26-13(3)4;1-2-9-5(8)3-4(6)7;1-4(2)3-5;/h5-13,15H,2,4,14,16-17H2,1,3H3;8-11,13,16H,1,12,14H2,2-7H3;5-8,10,27H,2,4,9,11H2,1,3H3;6-9,11-12H,10H2,1-5H3,(H,25,27);5-8,11,13,23H,1,9-10H2,2-4H3;2-3H2,1H3;1,3H2,2H3;1H4
InChIKeyUZMGVFDFIZYGNX-UHFFFAOYSA-N
XLogP30.94
TPSA392.68 Ų
H-Bond Donors3
H-Bond Acceptors29
Rotatable Bonds38
Heavy Atoms170
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002752.43
LogP ≤ 530.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-bromo-2-methylprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-2-enyl)-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;methane;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(2-methylprop-2-enylamino)pyridine-2-carboxylate with MolForge

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Related Compounds

[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl trifluoromethanesulfonate;ethyl 3-chloro-3-oxopropanoate;propan-2-yl 4-bromo-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-(3-ethoxy-3-oxopropanoyl)amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-3-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;sulfane
CID 159922776
[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol;[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl trifluoromethanesulfonate;ethyl 3-chloro-3-oxopropanoate;methane;propan-2-yl 4-bromo-3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-(3-ethoxy-3-oxopropanoyl)amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-3-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 162121328
CID 157998301
CID 157998301
3-Bromoprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;propan-2-yl 4-bromo-3-[(3-ethoxy-3-oxopropanoyl)-prop-2-enylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-prop-2-enylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(prop-2-enylamino)pyridine-2-carboxylate
CID 158035559
1-O-tert-butyl 7-O-propan-2-yl 5-bromo-4-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[2,3-c]pyridine-1,7-dicarboxylate;1-O-tert-butyl 7-O-propan-2-yl 4-[(4-fluorophenyl)methyl]-3,3-dimethyl-2H-pyrrolo[2,3-c]pyridine-1,7-dicarboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]pyridine-2-carboxylate;propan-2-yl 4-[(4-fluorophenyl)methyl]-3,3-dimethyl-1,2-dihydropyrrolo[2,3-c]pyridine-7-carboxylate
CID 158343575
1-O-tert-butyl 8-O-propan-2-yl 5-[(4-fluorophenyl)methyl]-2-hydroxy-3,4-dihydro-2H-1,7-naphthyridine-1,8-dicarboxylate;ethyl 8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxylate;8-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,6-diazatricyclo[7.3.1.05,13]trideca-3,5,7,9(13)-tetraene-3-carboxamide;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 1-(3-ethoxy-3-oxopropanoyl)-5-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-1,7-naphthyridine-8-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-1,2,3,4-tetrahydro-1,7-naphthyridine-8-carboxylate
CID 158545051
5-[(4-Fluorophenyl)methyl]-2-propan-2-yloxycarbonylpyridine-3-carboxylic acid;5-[(4-fluorophenyl)methyl]pyridine-2,3-dicarboxylic acid;propan-2-yl 3-[2-acetyloxyethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-amino-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 158754009
ethyl 8-bromo-1-[3-(1,3-dioxoisoindol-2-yl)propyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;8-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-hydroxyethyl)-2-oxo-1,6,10-triazatricyclo[7.4.1.05,14]tetradeca-3,5,7-triene-3-carboxamide;propan-2-yl 4-bromo-3-[3-(1,3-dioxoisoindol-2-yl)propyl-(3-ethoxy-3-oxopropanoyl)amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-3-[3-(1,3-dioxoisoindol-2-yl)propyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 160156174
4,6-Dibromo-5-[(4-fluorophenyl)methyl]-3-(3-hydroxypropylamino)pyridine-2-carboxylic acid;ethyl 8-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-10-oxa-1,6-diazatricyclo[7.4.1.05,14]tetradeca-3,5,7,9(14)-tetraene-3-carboxylate;methyl 8-bromo-9-[(4-fluorophenyl)methyl]-2,3,4,5-tetrahydropyrido[4,3-b][1,4]oxazepine-6-carboxylate;methyl 9-[(4-fluorophenyl)methyl]-2,3,4,5-tetrahydropyrido[4,3-b][1,4]oxazepine-6-carboxylate;propan-2-yl 4,6-dibromo-3-[3-[tert-butyl(dimethyl)silyl]oxypropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 161482973
Ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;propan-2-yl 3-amino-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 3-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]-4,6-dibromo-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-3-[2-(1,3-dioxoisoindol-2-yl)ethylamino]-5-[(4-fluorophenyl)methyl]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate
CID 161691179
4,6-dibromo-5-[(4-fluorophenyl)methyl]-3-(2-hydroxyethylamino)pyridine-2-carboxylic acid;ethyl 6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;methyl 7-bromo-8-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine-5-carboxylate;methyl 8-[(4-fluorophenyl)methyl]-3,4-dihydro-2H-pyrido[4,3-b][1,4]oxazine-5-carboxylate
CID 161938492

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-methylprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-2-enyl)-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;methane;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(2-methylprop-2-enylamino)pyridine-2-carboxylate?
The IUPAC name of 3-bromo-2-methylprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-2-enyl)-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;methane;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(2-methylprop-2-enylamino)pyridine-2-carboxylate (CID 161236860) is 3-bromo-2-methylprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-2-enyl)-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;methane;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(2-methylprop-2-enylamino)pyridine-2-carboxylate.
What is the SMILES notation for 3-bromo-2-methylprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-2-enyl)-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;methane;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(2-methylprop-2-enylamino)pyridine-2-carboxylate?
The canonical SMILES for 3-bromo-2-methylprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-2-enyl)-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;methane;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(2-methylprop-2-enylamino)pyridine-2-carboxylate is C.C=C(C)CBr.C=C(C)CN(C(=O)OC(C)(C)C)c1c(C(=O)OC(C)C)ncc(Cc2ccc(F)cc2)c1Br.C=C(C)CNc1c(C(=O)OC(C)C)ncc(Cc2ccc(F)cc2)c1Br.C=C(C)Cn1c(=O)c(C(=O)OCC)c(O)c2ncc(Cc3ccc(F)cc3)c(Br)c21.C=C(C)Cn1c(=O)c(C(=O)OCC)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c(Br)c21.CC(C)OC(=O)c1ncc(Cc2ccc(F)cc2)c(Br)c1NC(=O)OC(C)(C)C.CCOC(=O)CC(=O)Cl.
What is the InChIKey of 3-bromo-2-methylprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-2-enyl)-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;methane;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(2-methylprop-2-enylamino)pyridine-2-carboxylate?
The InChIKey is UZMGVFDFIZYGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26BrFN2O4.C25H30BrFN2O4.C22H20BrFN2O4.C21H24BrFN2O4.C20H22BrFN2O2.C5H7ClO3.C4H7Br.CH4/c1-4-36-29(35)23-27(37-17-20-8-6-5-7-9-20)25-26(33(28(23)34)16-18(2)3)24(30)21(15-32-25)14-19-10-12-22(31)13-11-19;1-15(2)14-29(24(31)33-25(5,6)7)22-20(26)18(12-17-8-10-19(27)11-9-17)13-28-21(22)23(30)32-16(3)4;1-4-30-22(29)16-20(27)18-19(26(21(16)28)11-12(2)3)17(23)14(10-25-18)9-13-5-7-15(24)8-6-13;1-12(2)28-19(26)18-17(25-20(27)29-21(3,4)5)16(22)14(11-24-18)10-13-6-8-15(23)9-7-13;1-12(2)10-23-18-17(21)15(9-14-5-7-16(22)8-6-14)11-24-19(18)20(25)26-13(3)4;1-2-9-5(8)3-4(6)7;1-4(2)3-5;/h5-13,15H,2,4,14,16-17H2,1,3H3;8-11,13,16H,1,12,14H2,2-7H3;5-8,10,27H,2,4,9,11H2,1,3H3;6-9,11-12H,10H2,1-5H3,(H,25,27);5-8,11,13,23H,1,9-10H2,2-4H3;2-3H2,1H3;1,3H2,2H3;1H4.
What are the key properties of 3-bromo-2-methylprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-2-enyl)-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;methane;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(2-methylprop-2-enylamino)pyridine-2-carboxylate?
3-bromo-2-methylprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-2-enyl)-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;methane;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(2-methylprop-2-enylamino)pyridine-2-carboxylate has a molecular weight of 2752.43 g/mol, XLogP of 30.94, 38 rotatable bonds, 3 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-methylprop-1-ene;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-(2-methylprop-2-enyl)-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-(2-methylprop-2-enyl)-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 3-chloro-3-oxopropanoate;methane;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-[(2-methylpropan-2-yl)oxycarbonyl-(2-methylprop-2-enyl)amino]pyridine-2-carboxylate;propan-2-yl 4-bromo-5-[(4-fluorophenyl)methyl]-3-(2-methylprop-2-enylamino)pyridine-2-carboxylate is sourced from PubChem (CID 161236860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).