N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1,3-dimethyl-2,7-dioxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2,7-dioxo-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-13-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,3,7,9,11-pentaene-4-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-15-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,7,9,16-pentaene-4-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
C122H114Cl5F5N30O19 — CID 159407314
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1,3-dimethyl-2,7-dioxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2,7-dioxo-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-13-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,3,7,9,11-pentaene-4-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-15-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,7,9,16-pentaene-4-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(N)c(N)cnc32)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c4[nH]c(=O)[nH]c4cnc32)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c4c(cnc32)nc2n4CCCO2)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c4nc5n(c4cnc32)CCCO5)C1.Cn1c(=O)n(C)c2c3cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n(CC(=O)N4CC(C)(F)C4)c3ncc21
InChIInChI=1S/2C26H24ClFN6O4.C25H24ClFN6O4.C23H20ClFN6O4.C22H22ClFN6O3/c1-26(28)13-32(14-26)20(35)12-34-22-17(21-19(11-29-22)33-7-2-8-38-25(33)31-21)9-18(24(34)37)23(36)30-10-15-3-5-16(27)6-4-15;1-26(28)13-32(14-26)20(35)12-34-22-17(21-19(11-29-22)31-25-33(21)7-2-8-38-25)9-18(24(34)37)23(36)30-10-15-3-5-16(27)6-4-15;1-25(27)12-32(13-25)19(34)11-33-21-16(20-18(10-28-21)30(2)24(37)31(20)3)8-17(23(33)36)22(35)29-9-14-4-6-15(26)7-5-14;1-23(25)10-30(11-23)17(32)9-31-19-14(18-16(8-26-19)28-22(35)29-18)6-15(21(31)34)20(33)27-7-12-2-4-13(24)5-3-12;1-22(24)10-29(11-22)17(31)9-30-19-14(18(26)16(25)8-27-19)6-15(21(30)33)20(32)28-7-12-2-4-13(23)5-3-12/h2*3-6,9,11H,2,7-8,10,12-14H2,1H3,(H,30,36);4-8,10H,9,11-13H2,1-3H3,(H,29,35);2-6,8H,7,9-11H2,1H3,(H,27,33)(H2,28,29,35);2-6,8H,7,9-11,25H2,1H3,(H2,26,27)(H,28,32)
InChIKeyLOCWXTQVMPHKAS-UHFFFAOYSA-N
MW2576.70 g/mol
LogP10.54
Rot. Bonds25
About N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1,3-dimethyl-2,7-dioxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2,7-dioxo-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-13-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,3,7,9,11-pentaene-4-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-15-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,7,9,16-pentaene-4-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide
N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1,3-dimethyl-2,7-dioxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2,7-dioxo-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-13-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,3,7,9,11-pentaene-4-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-15-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,7,9,16-pentaene-4-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 159407314) has the molecular formula C122H114Cl5F5N30O19 and a molecular weight of 2576.70 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1,3-dimethyl-2,7-dioxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2,7-dioxo-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-13-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,3,7,9,11-pentaene-4-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-15-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,7,9,16-pentaene-4-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1,3-dimethyl-2,7-dioxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2,7-dioxo-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-13-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,3,7,9,11-pentaene-4-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-15-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,7,9,16-pentaene-4-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide |
|---|---|
| PubChem CID | 159407314 |
| Molecular Formula | C122H114Cl5F5N30O19 |
| Molecular Weight | 2576.70 g/mol |
| Exact Mass | 2572.72 |
| IUPAC Name | N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1,3-dimethyl-2,7-dioxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2,7-dioxo-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-13-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,3,7,9,11-pentaene-4-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-15-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,7,9,16-pentaene-4-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide |
| SMILES | CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(N)c(N)cnc32)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c4[nH]c(=O)[nH]c4cnc32)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c4c(cnc32)nc2n4CCCO2)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c4nc5n(c4cnc32)CCCO5)C1.Cn1c(=O)n(C)c2c3cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n(CC(=O)N4CC(C)(F)C4)c3ncc21 |
| InChI | InChI=1S/2C26H24ClFN6O4.C25H24ClFN6O4.C23H20ClFN6O4.C22H22ClFN6O3/c1-26(28)13-32(14-26)20(35)12-34-22-17(21-19(11-29-22)33-7-2-8-38-25(33)31-21)9-18(24(34)37)23(36)30-10-15-3-5-16(27)6-4-15;1-26(28)13-32(14-26)20(35)12-34-22-17(21-19(11-29-22)31-25-33(21)7-2-8-38-25)9-18(24(34)37)23(36)30-10-15-3-5-16(27)6-4-15;1-25(27)12-32(13-25)19(34)11-33-21-16(20-18(10-28-21)30(2)24(37)31(20)3)8-17(23(33)36)22(35)29-9-14-4-6-15(26)7-5-14;1-23(25)10-30(11-23)17(32)9-31-19-14(18-16(8-26-19)28-22(35)29-18)6-15(21(31)34)20(33)27-7-12-2-4-13(24)5-3-12;1-22(24)10-29(11-22)17(31)9-30-19-14(18(26)16(25)8-27-19)6-15(21(30)33)20(32)28-7-12-2-4-13(23)5-3-12/h2*3-6,9,11H,2,7-8,10,12-14H2,1H3,(H,30,36);4-8,10H,9,11-13H2,1-3H3,(H,29,35);2-6,8H,7,9-11H2,1H3,(H,27,33)(H2,28,29,35);2-6,8H,7,9-11,25H2,1H3,(H2,26,27)(H,28,32) |
| InChIKey | LOCWXTQVMPHKAS-UHFFFAOYSA-N |
| XLogP | 10.54 |
| TPSA | 603.22 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 181 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2576.70 |
| LogP ≤ 5 | 10.54 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 37 |
Frequently Asked Questions
What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1,3-dimethyl-2,7-dioxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2,7-dioxo-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-13-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,3,7,9,11-pentaene-4-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-15-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,7,9,16-pentaene-4-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1,3-dimethyl-2,7-dioxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2,7-dioxo-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-13-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,3,7,9,11-pentaene-4-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-15-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,7,9,16-pentaene-4-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide (CID 159407314) is N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1,3-dimethyl-2,7-dioxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2,7-dioxo-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-13-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,3,7,9,11-pentaene-4-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-15-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,7,9,16-pentaene-4-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1,3-dimethyl-2,7-dioxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2,7-dioxo-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-13-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,3,7,9,11-pentaene-4-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-15-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,7,9,16-pentaene-4-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1,3-dimethyl-2,7-dioxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2,7-dioxo-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-13-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,3,7,9,11-pentaene-4-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-15-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,7,9,16-pentaene-4-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c(N)c(N)cnc32)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c4[nH]c(=O)[nH]c4cnc32)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c4c(cnc32)nc2n4CCCO2)C1.CC1(F)CN(C(=O)Cn2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cc3c4nc5n(c4cnc32)CCCO5)C1.Cn1c(=O)n(C)c2c3cc(C(=O)NCc4ccc(Cl)cc4)c(=O)n(CC(=O)N4CC(C)(F)C4)c3ncc21.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1,3-dimethyl-2,7-dioxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2,7-dioxo-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-13-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,3,7,9,11-pentaene-4-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-15-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,7,9,16-pentaene-4-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is LOCWXTQVMPHKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H24ClFN6O4.C25H24ClFN6O4.C23H20ClFN6O4.C22H22ClFN6O3/c1-26(28)13-32(14-26)20(35)12-34-22-17(21-19(11-29-22)33-7-2-8-38-25(33)31-21)9-18(24(34)37)23(36)30-10-15-3-5-16(27)6-4-15;1-26(28)13-32(14-26)20(35)12-34-22-17(21-19(11-29-22)31-25-33(21)7-2-8-38-25)9-18(24(34)37)23(36)30-10-15-3-5-16(27)6-4-15;1-25(27)12-32(13-25)19(34)11-33-21-16(20-18(10-28-21)30(2)24(37)31(20)3)8-17(23(33)36)22(35)29-9-14-4-6-15(26)7-5-14;1-23(25)10-30(11-23)17(32)9-31-19-14(18-16(8-26-19)28-22(35)29-18)6-15(21(31)34)20(33)27-7-12-2-4-13(24)5-3-12;1-22(24)10-29(11-22)17(31)9-30-19-14(18(26)16(25)8-27-19)6-15(21(30)33)20(32)28-7-12-2-4-13(23)5-3-12/h2*3-6,9,11H,2,7-8,10,12-14H2,1H3,(H,30,36);4-8,10H,9,11-13H2,1-3H3,(H,29,35);2-6,8H,7,9-11H2,1H3,(H,27,33)(H2,28,29,35);2-6,8H,7,9-11,25H2,1H3,(H2,26,27)(H,28,32).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1,3-dimethyl-2,7-dioxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2,7-dioxo-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-13-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,3,7,9,11-pentaene-4-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-15-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,7,9,16-pentaene-4-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1,3-dimethyl-2,7-dioxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2,7-dioxo-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-13-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,3,7,9,11-pentaene-4-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-15-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,7,9,16-pentaene-4-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 2576.70 g/mol, XLogP of 10.54, 25 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-1,3-dimethyl-2,7-dioxoimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2,7-dioxo-1,3-dihydroimidazo[4,5-c][1,8]naphthyridine-8-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-13-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.012,17]heptadeca-1,3,7,9,11-pentaene-4-carboxamide;N-[(4-chlorophenyl)methyl]-6-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-5-oxo-15-oxa-6,8,11,17-tetrazatetracyclo[8.7.0.02,7.011,16]heptadeca-1,3,7,9,16-pentaene-4-carboxamide;5,6-diamino-N-[(4-chlorophenyl)methyl]-1-[2-(3-fluoro-3-methylazetidin-1-yl)-2-oxoethyl]-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 159407314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 159407314 — identifiers, structure, computed properties (public domain)
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