About 4-acetyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;4-acetyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxamide;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-11-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate
4-acetyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;4-acetyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxamide;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-11-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate (PubChem CID 158806019) has the molecular formula C138H152Br2F5N19O26Si3
and a molecular weight of 2831.90 g/mol. Its IUPAC name is 4-acetyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;4-acetyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxamide;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-11-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate.
Frequently Asked Questions
What is the IUPAC name of 4-acetyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;4-acetyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxamide;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-11-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate?
The IUPAC name of 4-acetyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;4-acetyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxamide;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-11-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate (CID 158806019) is 4-acetyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;4-acetyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxamide;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-11-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate.
What is the SMILES notation for 4-acetyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;4-acetyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxamide;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-11-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate?
The canonical SMILES for 4-acetyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;4-acetyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxamide;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-11-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate is CC(=O)N1CCn2c(=O)c(C(=O)NCCO)c(O)c3ncc(Cc4ccc(F)cc4)c1c32.CC(=O)N1CCn2c(=O)c(C(=O)NCCO[Si](C)(C)C(C)(C)C)c(O)c3ncc(Cc4ccc(F)cc4)c1c32.CC(C)(C)[Si](C)(C)OCCNC(=O)C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2c(ncc(Cc3ccc(F)cc3)c2Br)C1O.CC(C)(C)[Si](C)(C)OCCNC(=O)C1C(=O)N2CCNc3c(Cc4ccc(F)cc4)cnc(c32)C1O.CCOC(=O)C1C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2c(ncc(Cc3ccc(F)cc3)c2Br)C1O.
What is the InChIKey of 4-acetyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;4-acetyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxamide;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-11-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate?
The InChIKey is IUBXMNAQDTWKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38BrFN4O6Si.C28H23BrFN3O6.C28H35FN4O5Si.C26H35FN4O4Si.C22H21FN4O5/c1-34(2,3)47(4,5)46-17-14-37-30(42)25-29(41)27-28(26(35)21(19-38-27)18-20-10-12-22(36)13-11-20)39(33(25)45)15-16-40-31(43)23-8-6-7-9-24(23)32(40)44;1-2-39-28(38)20-24(34)22-23(21(29)16(14-31-22)13-15-7-9-17(30)10-8-15)32(27(20)37)11-12-33-25(35)18-5-3-4-6-19(18)26(33)36;1-17(34)32-12-13-33-24-22(31-16-19(23(24)32)15-18-7-9-20(29)10-8-18)25(35)21(27(33)37)26(36)30-11-14-38-39(5,6)28(2,3)4;1-26(2,3)36(4,5)35-13-11-29-24(33)19-23(32)21-22-20(28-10-12-31(22)25(19)34)17(15-30-21)14-16-6-8-18(27)9-7-16;1-12(29)26-7-8-27-19-17(20(30)16(22(27)32)21(31)24-6-9-28)25-11-14(18(19)26)10-13-2-4-15(23)5-3-13/h6-13,19,25,29,41H,14-18H2,1-5H3,(H,37,42);3-10,14,20,24,34H,2,11-13H2,1H3;7-10,16,35H,11-15H2,1-6H3,(H,30,36);6-9,15,19,23,28,32H,10-14H2,1-5H3,(H,29,33);2-5,11,28,30H,6-10H2,1H3,(H,24,31).
What are the key properties of 4-acetyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;4-acetyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxamide;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-11-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate?
4-acetyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;4-acetyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxamide;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-11-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate has a molecular weight of 2831.90 g/mol, XLogP of 16.68, 36 rotatable bonds, 11 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;4-acetyl-6-[(4-fluorophenyl)methyl]-10-hydroxy-N-(2-hydroxyethyl)-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8,10-tetraene-11-carboxamide;8-bromo-N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxamide;N-[2-[tert-butyl(dimethyl)silyl]oxyethyl]-6-[(4-fluorophenyl)methyl]-10-hydroxy-12-oxo-1,4,8-triazatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene-11-carboxamide;ethyl 8-bromo-1-[2-(1,3-dioxoisoindol-2-yl)ethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-3,4-dihydro-1,5-naphthyridine-3-carboxylate is sourced from PubChem (CID 158806019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).