ethyl 8-bromo-1-[(2R)-2,3-dihydroxypropyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl (3R)-6-[(4-fluorophenyl)methyl]-12-oxo-10-phenylmethoxy-3-[tri(propan-2-yl)silyloxymethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;methane

C159H179Br4F5N10O30Si2 — CID 161457824

IUPACethyl 8-bromo-1-[(2R)-2,3-dihydroxypropyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl (3R)-6-[(4-fluorophenyl)methyl]-12-oxo-10-phenylmethoxy-3-[tri(propan-2-yl)silyloxymethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;methane
SMILESC.C.CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(C[C@@H]2COC(C)(C)O2)c1=O.CCOC(=O)c1c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(C[C@@H](O)CO)c1=O.CCOC(=O)c1c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(C[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C)c1=O.CCOC(=O)c1c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(C[C@@H]2COC(C)(C)O2)c1=O.CCOC(=O)c1c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)C[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O3
InChIInChI=1S/C37H46BrFN2O6Si.C37H45FN2O6Si.C31H30BrFN2O6.C28H26BrFN2O6.C24H24BrFN2O6.2CH4/c1-8-45-37(44)31-35(46-21-27-12-10-9-11-13-27)33-34(32(38)28(19-40-33)18-26-14-16-29(39)17-15-26)41(36(31)43)20-30(42)22-47-48(23(2)3,24(4)5)25(6)7;1-8-43-37(42)31-35(44-21-27-12-10-9-11-13-27)32-33-34(28(19-39-32)18-26-14-16-29(38)17-15-26)46-30(20-40(33)36(31)41)22-45-47(23(2)3,24(4)5)25(6)7;1-4-38-30(37)24-28(39-17-20-8-6-5-7-9-20)26-27(35(29(24)36)16-23-18-40-31(2,3)41-23)25(32)21(15-34-26)14-19-10-12-22(33)13-11-19;1-2-37-28(36)22-26(38-16-18-6-4-3-5-7-18)24-25(32(27(22)35)14-21(34)15-33)23(29)19(13-31-24)12-17-8-10-20(30)11-9-17;1-4-32-23(31)17-21(29)19-20(28(22(17)30)11-16-12-33-24(2,3)34-16)18(25)14(10-27-19)9-13-5-7-15(26)8-6-13;;/h9-17,19,23-25,30,42H,8,18,20-22H2,1-7H3;9-17,19,23-25,30H,8,18,20-22H2,1-7H3;5-13,15,23H,4,14,16-18H2,1-3H3;3-11,13,21,33-34H,2,12,14-16H2,1H3;5-8,10,16,29H,4,9,11-12H2,1-3H3;2*1H4/t2*30-;23-;21-;16-;;/m11111../s1
InChIKeyWBJUXLVBJXPCSY-QGOZCGANSA-N
MW3181.00 g/mol
LogP31.02
Rot. Bonds53

About ethyl 8-bromo-1-[(2R)-2,3-dihydroxypropyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl (3R)-6-[(4-fluorophenyl)methyl]-12-oxo-10-phenylmethoxy-3-[tri(propan-2-yl)silyloxymethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;methane

ethyl 8-bromo-1-[(2R)-2,3-dihydroxypropyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl (3R)-6-[(4-fluorophenyl)methyl]-12-oxo-10-phenylmethoxy-3-[tri(propan-2-yl)silyloxymethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;methane (PubChem CID 161457824) has the molecular formula C159H179Br4F5N10O30Si2 and a molecular weight of 3181.00 g/mol. Its IUPAC name is ethyl 8-bromo-1-[(2R)-2,3-dihydroxypropyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl (3R)-6-[(4-fluorophenyl)methyl]-12-oxo-10-phenylmethoxy-3-[tri(propan-2-yl)silyloxymethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;methane.

Molecular Properties

Compound Nameethyl 8-bromo-1-[(2R)-2,3-dihydroxypropyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl (3R)-6-[(4-fluorophenyl)methyl]-12-oxo-10-phenylmethoxy-3-[tri(propan-2-yl)silyloxymethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;methane
PubChem CID161457824
Molecular FormulaC159H179Br4F5N10O30Si2
Molecular Weight3181.00 g/mol
Exact Mass3174.90
IUPAC Nameethyl 8-bromo-1-[(2R)-2,3-dihydroxypropyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl (3R)-6-[(4-fluorophenyl)methyl]-12-oxo-10-phenylmethoxy-3-[tri(propan-2-yl)silyloxymethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;methane
SMILESC.C.CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(C[C@@H]2COC(C)(C)O2)c1=O.CCOC(=O)c1c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(C[C@@H](O)CO)c1=O.CCOC(=O)c1c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(C[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C)c1=O.CCOC(=O)c1c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(C[C@@H]2COC(C)(C)O2)c1=O.CCOC(=O)c1c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)C[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O3
InChIInChI=1S/C37H46BrFN2O6Si.C37H45FN2O6Si.C31H30BrFN2O6.C28H26BrFN2O6.C24H24BrFN2O6.2CH4/c1-8-45-37(44)31-35(46-21-27-12-10-9-11-13-27)33-34(32(38)28(19-40-33)18-26-14-16-29(39)17-15-26)41(36(31)43)20-30(42)22-47-48(23(2)3,24(4)5)25(6)7;1-8-43-37(42)31-35(44-21-27-12-10-9-11-13-27)32-33-34(28(19-39-32)18-26-14-16-29(38)17-15-26)46-30(20-40(33)36(31)41)22-45-47(23(2)3,24(4)5)25(6)7;1-4-38-30(37)24-28(39-17-20-8-6-5-7-9-20)26-27(35(29(24)36)16-23-18-40-31(2,3)41-23)25(32)21(15-34-26)14-19-10-12-22(33)13-11-19;1-2-37-28(36)22-26(38-16-18-6-4-3-5-7-18)24-25(32(27(22)35)14-21(34)15-33)23(29)19(13-31-24)12-17-8-10-20(30)11-9-17;1-4-32-23(31)17-21(29)19-20(28(22(17)30)11-16-12-33-24(2,3)34-16)18(25)14(10-27-19)9-13-5-7-15(26)8-6-13;;/h9-17,19,23-25,30,42H,8,18,20-22H2,1-7H3;9-17,19,23-25,30H,8,18,20-22H2,1-7H3;5-13,15,23H,4,14,16-18H2,1-3H3;3-11,13,21,33-34H,2,12,14-16H2,1H3;5-8,10,16,29H,4,9,11-12H2,1-3H3;2*1H4/t2*30-;23-;21-;16-;;/m11111../s1
InChIKeyWBJUXLVBJXPCSY-QGOZCGANSA-N
XLogP31.02
TPSA488.40 Ų
H-Bond Donors4
H-Bond Acceptors40
Rotatable Bonds53
Heavy Atoms210
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003181.00
LogP ≤ 531.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze ethyl 8-bromo-1-[(2R)-2,3-dihydroxypropyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl (3R)-6-[(4-fluorophenyl)methyl]-12-oxo-10-phenylmethoxy-3-[tri(propan-2-yl)silyloxymethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 8-bromo-1-[(2R)-2,3-dihydroxypropyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl (3R)-6-[(4-fluorophenyl)methyl]-12-oxo-10-phenylmethoxy-3-[tri(propan-2-yl)silyloxymethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;methane?
The IUPAC name of ethyl 8-bromo-1-[(2R)-2,3-dihydroxypropyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl (3R)-6-[(4-fluorophenyl)methyl]-12-oxo-10-phenylmethoxy-3-[tri(propan-2-yl)silyloxymethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;methane (CID 161457824) is ethyl 8-bromo-1-[(2R)-2,3-dihydroxypropyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl (3R)-6-[(4-fluorophenyl)methyl]-12-oxo-10-phenylmethoxy-3-[tri(propan-2-yl)silyloxymethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;methane.
What is the SMILES notation for ethyl 8-bromo-1-[(2R)-2,3-dihydroxypropyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl (3R)-6-[(4-fluorophenyl)methyl]-12-oxo-10-phenylmethoxy-3-[tri(propan-2-yl)silyloxymethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;methane?
The canonical SMILES for ethyl 8-bromo-1-[(2R)-2,3-dihydroxypropyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl (3R)-6-[(4-fluorophenyl)methyl]-12-oxo-10-phenylmethoxy-3-[tri(propan-2-yl)silyloxymethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;methane is C.C.CCOC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(C[C@@H]2COC(C)(C)O2)c1=O.CCOC(=O)c1c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(C[C@@H](O)CO)c1=O.CCOC(=O)c1c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(C[C@@H](O)CO[Si](C(C)C)(C(C)C)C(C)C)c1=O.CCOC(=O)c1c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(C[C@@H]2COC(C)(C)O2)c1=O.CCOC(=O)c1c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)C[C@H](CO[Si](C(C)C)(C(C)C)C(C)C)O3.
What is the InChIKey of ethyl 8-bromo-1-[(2R)-2,3-dihydroxypropyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl (3R)-6-[(4-fluorophenyl)methyl]-12-oxo-10-phenylmethoxy-3-[tri(propan-2-yl)silyloxymethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;methane?
The InChIKey is WBJUXLVBJXPCSY-QGOZCGANSA-N. The full InChI is InChI=1S/C37H46BrFN2O6Si.C37H45FN2O6Si.C31H30BrFN2O6.C28H26BrFN2O6.C24H24BrFN2O6.2CH4/c1-8-45-37(44)31-35(46-21-27-12-10-9-11-13-27)33-34(32(38)28(19-40-33)18-26-14-16-29(39)17-15-26)41(36(31)43)20-30(42)22-47-48(23(2)3,24(4)5)25(6)7;1-8-43-37(42)31-35(44-21-27-12-10-9-11-13-27)32-33-34(28(19-39-32)18-26-14-16-29(38)17-15-26)46-30(20-40(33)36(31)41)22-45-47(23(2)3,24(4)5)25(6)7;1-4-38-30(37)24-28(39-17-20-8-6-5-7-9-20)26-27(35(29(24)36)16-23-18-40-31(2,3)41-23)25(32)21(15-34-26)14-19-10-12-22(33)13-11-19;1-2-37-28(36)22-26(38-16-18-6-4-3-5-7-18)24-25(32(27(22)35)14-21(34)15-33)23(29)19(13-31-24)12-17-8-10-20(30)11-9-17;1-4-32-23(31)17-21(29)19-20(28(22(17)30)11-16-12-33-24(2,3)34-16)18(25)14(10-27-19)9-13-5-7-15(26)8-6-13;;/h9-17,19,23-25,30,42H,8,18,20-22H2,1-7H3;9-17,19,23-25,30H,8,18,20-22H2,1-7H3;5-13,15,23H,4,14,16-18H2,1-3H3;3-11,13,21,33-34H,2,12,14-16H2,1H3;5-8,10,16,29H,4,9,11-12H2,1-3H3;2*1H4/t2*30-;23-;21-;16-;;/m11111../s1.
What are the key properties of ethyl 8-bromo-1-[(2R)-2,3-dihydroxypropyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl (3R)-6-[(4-fluorophenyl)methyl]-12-oxo-10-phenylmethoxy-3-[tri(propan-2-yl)silyloxymethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;methane?
ethyl 8-bromo-1-[(2R)-2,3-dihydroxypropyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl (3R)-6-[(4-fluorophenyl)methyl]-12-oxo-10-phenylmethoxy-3-[tri(propan-2-yl)silyloxymethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;methane has a molecular weight of 3181.00 g/mol, XLogP of 31.02, 53 rotatable bonds, 4 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-bromo-1-[(2R)-2,3-dihydroxypropyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-1-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[(2R)-2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl (3R)-6-[(4-fluorophenyl)methyl]-12-oxo-10-phenylmethoxy-3-[tri(propan-2-yl)silyloxymethyl]-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;methane is sourced from PubChem (CID 161457824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).