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

C158H166Br3F5N10O28Si2 — CID 160887743

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

ethyl 8-bromo-1-(2,3-dihydroxypropyl)-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 6-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-12-oxo-10-phenylmethoxy-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;ethyl 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 (PubChem CID 160887743) has the molecular formula C158H166Br3F5N10O28Si2 and a molecular weight of 3043.98 g/mol. Its IUPAC name is ethyl 8-bromo-1-(2,3-dihydroxypropyl)-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 6-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-12-oxo-10-phenylmethoxy-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;ethyl 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.

Molecular Properties

• Compound Name: ethyl 8-bromo-1-(2,3-dihydroxypropyl)-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 6-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-12-oxo-10-phenylmethoxy-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;ethyl 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
• PubChem CID: 160887743
• Molecular Formula: C158H166Br3F5N10O28Si2
• Molecular Weight: 3043.98 g/mol
• Exact Mass: 3038.89
• IUPAC Name: ethyl 8-bromo-1-(2,3-dihydroxypropyl)-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 6-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-12-oxo-10-phenylmethoxy-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;ethyl 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
• SMILES: C=CCn1c(=O)c(C(=O)OCC)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c(Br)c21.CCOC(=O)c1c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(CC(O)CO)c1=O.CCOC(=O)c1c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(CC(O)CO[Si](C(C)C)(C(C)C)C(C)C)c1=O.CCOC(=O)c1c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CC(CO)O3.CCOC(=O)c1c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CC(CO[Si](C(C)C)(C(C)C)C(C)C)O3
• InChI: InChI=1S/C37H46BrFN2O6Si.C37H45FN2O6Si.C28H26BrFN2O6.C28H24BrFN2O4.C28H25FN2O6/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;1-2-37-28(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;1-3-14-32-25-23(29)20(15-18-10-12-21(30)13-11-18)16-31-24(25)26(22(27(32)33)28(34)35-4-2)36-17-19-8-6-5-7-9-19;1-2-35-28(34)22-26(36-16-18-6-4-3-5-7-18)23-24-25(37-21(15-32)14-31(24)27(22)33)19(13-30-23)12-17-8-10-20(29)11-9-17/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;3-11,13,21,33-34H,2,12,14-16H2,1H3;3,5-13,16H,1,4,14-15,17H2,2H3;3-11,13,21,32H,2,12,14-16H2,1H3
• InChIKey: SNWBDBIKKFPKKP-UHFFFAOYSA-N
• XLogP: 29.50
• TPSA: 469.94 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 38
• Rotatable Bonds: 55
• Heavy Atoms: 206
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3043.98
LogP ≤ 5	29.50
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	38

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of ethyl 8-bromo-1-(2,3-dihydroxypropyl)-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 6-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-12-oxo-10-phenylmethoxy-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;ethyl 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?

The IUPAC name of ethyl 8-bromo-1-(2,3-dihydroxypropyl)-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 6-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-12-oxo-10-phenylmethoxy-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;ethyl 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 (CID 160887743) is ethyl 8-bromo-1-(2,3-dihydroxypropyl)-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 6-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-12-oxo-10-phenylmethoxy-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;ethyl 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.

What is the SMILES notation for ethyl 8-bromo-1-(2,3-dihydroxypropyl)-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 6-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-12-oxo-10-phenylmethoxy-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;ethyl 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?

The canonical SMILES for ethyl 8-bromo-1-(2,3-dihydroxypropyl)-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 6-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-12-oxo-10-phenylmethoxy-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;ethyl 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 is C=CCn1c(=O)c(C(=O)OCC)c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c(Br)c21.CCOC(=O)c1c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(CC(O)CO)c1=O.CCOC(=O)c1c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c(Br)c2n(CC(O)CO[Si](C(C)C)(C(C)C)C(C)C)c1=O.CCOC(=O)c1c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CC(CO)O3.CCOC(=O)c1c(OCc2ccccc2)c2ncc(Cc3ccc(F)cc3)c3c2n(c1=O)CC(CO[Si](C(C)C)(C(C)C)C(C)C)O3.

What is the InChIKey of ethyl 8-bromo-1-(2,3-dihydroxypropyl)-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 6-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-12-oxo-10-phenylmethoxy-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;ethyl 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?

The InChIKey is SNWBDBIKKFPKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H46BrFN2O6Si.C37H45FN2O6Si.C28H26BrFN2O6.C28H24BrFN2O4.C28H25FN2O6/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;1-2-37-28(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;1-3-14-32-25-23(29)20(15-18-10-12-21(30)13-11-18)16-31-24(25)26(22(27(32)33)28(34)35-4-2)36-17-19-8-6-5-7-9-19;1-2-35-28(34)22-26(36-16-18-6-4-3-5-7-18)23-24-25(37-21(15-32)14-31(24)27(22)33)19(13-30-23)12-17-8-10-20(29)11-9-17/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;3-11,13,21,33-34H,2,12,14-16H2,1H3;3,5-13,16H,1,4,14-15,17H2,2H3;3-11,13,21,32H,2,12,14-16H2,1H3.

What are the key properties of ethyl 8-bromo-1-(2,3-dihydroxypropyl)-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 6-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-12-oxo-10-phenylmethoxy-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;ethyl 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?

ethyl 8-bromo-1-(2,3-dihydroxypropyl)-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 6-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-12-oxo-10-phenylmethoxy-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;ethyl 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 has a molecular weight of 3043.98 g/mol, XLogP of 29.50, 55 rotatable bonds, 4 hydrogen bond donors, and 38 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 8-bromo-1-(2,3-dihydroxypropyl)-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-1-[2-hydroxy-3-tri(propan-2-yl)silyloxypropyl]-2-oxo-4-phenylmethoxy-1,5-naphthyridine-3-carboxylate;ethyl 8-bromo-7-[(4-fluorophenyl)methyl]-2-oxo-4-phenylmethoxy-1-prop-2-enyl-1,5-naphthyridine-3-carboxylate;ethyl 6-[(4-fluorophenyl)methyl]-3-(hydroxymethyl)-12-oxo-10-phenylmethoxy-4-oxa-1,8-diazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxylate;ethyl 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 is sourced from PubChem (CID 160887743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).