cyclopentyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2,2-dimethylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate

C125H161F3N12O27S3 — CID 158039236

IUPACcyclopentyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2,2-dimethylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate
SMILESCOc1ccc2nc(C)c3c(c2c1)[C@H](F)C[C@]1(C[C@H]2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4/C=C\CCCCC[C@H](CC(=O)OC4CCCC4)C(=O)N2C1)O3.COc1ccc2nc(C)c3c(c2c1)[C@H](F)C[C@]1(C[C@H]2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4/C=C\CCCCC[C@H](CC(=O)OCC(C)(C)C)C(=O)N2C1)O3.COc1ccc2nc(C)c3c(c2c1)[C@H](F)C[C@]1(C[C@H]2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4/C=C\CCCCC[C@H](CC(=O)OCC(C)C)C(=O)N2C1)O3
InChIInChI=1S/C42H53FN4O9S.C42H55FN4O9S.C41H53FN4O9S/c1-25-36-35(30-20-29(54-3)15-16-32(30)44-25)31(43)22-41(56-36)23-33-37(49)45-42(39(51)46-57(52,53)40(2)17-18-40)21-27(42)12-8-6-4-5-7-11-26(38(50)47(33)24-41)19-34(48)55-28-13-9-10-14-28;1-25-35-34(29-19-28(54-6)14-15-31(29)44-25)30(43)21-41(56-35)22-32-36(49)45-42(38(51)46-57(52,53)40(5)16-17-40)20-27(42)13-11-9-7-8-10-12-26(37(50)47(32)23-41)18-33(48)55-24-39(2,3)4;1-24(2)22-54-33(47)17-26-11-9-7-6-8-10-12-27-19-41(27,38(50)45-56(51,52)39(4)15-16-39)44-36(48)32-21-40(23-46(32)37(26)49)20-30(42)34-29-18-28(53-5)13-14-31(29)43-25(3)35(34)55-40/h8,12,15-16,20,26-28,31,33H,4-7,9-11,13-14,17-19,21-24H2,1-3H3,(H,45,49)(H,46,51);11,13-15,19,26-27,30,32H,7-10,12,16-18,20-24H2,1-6H3,(H,45,49)(H,46,51);10,12-14,18,24,26-27,30,32H,6-9,11,15-17,19-23H2,1-5H3,(H,44,48)(H,45,50)/b12-8-;13-11-;12-10-/t26-,27-,31-,33+,41-,42-;26-,27-,30-,32+,41-,42-;26-,27-,30-,32+,40-,41-/m111/s1
InChIKeyFIDLJQJFVDZAQU-DMNBJCQRSA-N
MW2416.91 g/mol
LogP16.53
Rot. Bonds22

About cyclopentyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2,2-dimethylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate

cyclopentyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2,2-dimethylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate (PubChem CID 158039236) has the molecular formula C125H161F3N12O27S3 and a molecular weight of 2416.91 g/mol. Its IUPAC name is cyclopentyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2,2-dimethylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate.

Molecular Properties

Compound Namecyclopentyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2,2-dimethylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate
PubChem CID158039236
Molecular FormulaC125H161F3N12O27S3
Molecular Weight2416.91 g/mol
Exact Mass2415.07
IUPAC Namecyclopentyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2,2-dimethylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate
SMILESCOc1ccc2nc(C)c3c(c2c1)[C@H](F)C[C@]1(C[C@H]2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4/C=C\CCCCC[C@H](CC(=O)OC4CCCC4)C(=O)N2C1)O3.COc1ccc2nc(C)c3c(c2c1)[C@H](F)C[C@]1(C[C@H]2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4/C=C\CCCCC[C@H](CC(=O)OCC(C)(C)C)C(=O)N2C1)O3.COc1ccc2nc(C)c3c(c2c1)[C@H](F)C[C@]1(C[C@H]2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4/C=C\CCCCC[C@H](CC(=O)OCC(C)C)C(=O)N2C1)O3
InChIInChI=1S/C42H53FN4O9S.C42H55FN4O9S.C41H53FN4O9S/c1-25-36-35(30-20-29(54-3)15-16-32(30)44-25)31(43)22-41(56-36)23-33-37(49)45-42(39(51)46-57(52,53)40(2)17-18-40)21-27(42)12-8-6-4-5-7-11-26(38(50)47(33)24-41)19-34(48)55-28-13-9-10-14-28;1-25-35-34(29-19-28(54-6)14-15-31(29)44-25)30(43)21-41(56-35)22-32-36(49)45-42(38(51)46-57(52,53)40(5)16-17-40)20-27(42)13-11-9-7-8-10-12-26(37(50)47(32)23-41)18-33(48)55-24-39(2,3)4;1-24(2)22-54-33(47)17-26-11-9-7-6-8-10-12-27-19-41(27,38(50)45-56(51,52)39(4)15-16-39)44-36(48)32-21-40(23-46(32)37(26)49)20-30(42)34-29-18-28(53-5)13-14-31(29)43-25(3)35(34)55-40/h8,12,15-16,20,26-28,31,33H,4-7,9-11,13-14,17-19,21-24H2,1-3H3,(H,45,49)(H,46,51);11,13-15,19,26-27,30,32H,7-10,12,16-18,20-24H2,1-6H3,(H,45,49)(H,46,51);10,12-14,18,24,26-27,30,32H,6-9,11,15-17,19-23H2,1-5H3,(H,44,48)(H,45,50)/b12-8-;13-11-;12-10-/t26-,27-,31-,33+,41-,42-;26-,27-,30-,32+,41-,42-;26-,27-,30-,32+,40-,41-/m111/s1
InChIKeyFIDLJQJFVDZAQU-DMNBJCQRSA-N
XLogP16.53
TPSA510.90 Ų
H-Bond Donors6
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms170
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002416.91
LogP ≤ 516.53
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze cyclopentyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2,2-dimethylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of cyclopentyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2,2-dimethylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate?
The IUPAC name of cyclopentyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2,2-dimethylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate (CID 158039236) is cyclopentyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2,2-dimethylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate.
What is the SMILES notation for cyclopentyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2,2-dimethylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate?
The canonical SMILES for cyclopentyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2,2-dimethylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate is COc1ccc2nc(C)c3c(c2c1)[C@H](F)C[C@]1(C[C@H]2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4/C=C\CCCCC[C@H](CC(=O)OC4CCCC4)C(=O)N2C1)O3.COc1ccc2nc(C)c3c(c2c1)[C@H](F)C[C@]1(C[C@H]2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4/C=C\CCCCC[C@H](CC(=O)OCC(C)(C)C)C(=O)N2C1)O3.COc1ccc2nc(C)c3c(c2c1)[C@H](F)C[C@]1(C[C@H]2C(=O)N[C@]4(C(=O)NS(=O)(=O)C5(C)CC5)C[C@H]4/C=C\CCCCC[C@H](CC(=O)OCC(C)C)C(=O)N2C1)O3.
What is the InChIKey of cyclopentyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2,2-dimethylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate?
The InChIKey is FIDLJQJFVDZAQU-DMNBJCQRSA-N. The full InChI is InChI=1S/C42H53FN4O9S.C42H55FN4O9S.C41H53FN4O9S/c1-25-36-35(30-20-29(54-3)15-16-32(30)44-25)31(43)22-41(56-36)23-33-37(49)45-42(39(51)46-57(52,53)40(2)17-18-40)21-27(42)12-8-6-4-5-7-11-26(38(50)47(33)24-41)19-34(48)55-28-13-9-10-14-28;1-25-35-34(29-19-28(54-6)14-15-31(29)44-25)30(43)21-41(56-35)22-32-36(49)45-42(38(51)46-57(52,53)40(5)16-17-40)20-27(42)13-11-9-7-8-10-12-26(37(50)47(32)23-41)18-33(48)55-24-39(2,3)4;1-24(2)22-54-33(47)17-26-11-9-7-6-8-10-12-27-19-41(27,38(50)45-56(51,52)39(4)15-16-39)44-36(48)32-21-40(23-46(32)37(26)49)20-30(42)34-29-18-28(53-5)13-14-31(29)43-25(3)35(34)55-40/h8,12,15-16,20,26-28,31,33H,4-7,9-11,13-14,17-19,21-24H2,1-3H3,(H,45,49)(H,46,51);11,13-15,19,26-27,30,32H,7-10,12,16-18,20-24H2,1-6H3,(H,45,49)(H,46,51);10,12-14,18,24,26-27,30,32H,6-9,11,15-17,19-23H2,1-5H3,(H,44,48)(H,45,50)/b12-8-;13-11-;12-10-/t26-,27-,31-,33+,41-,42-;26-,27-,30-,32+,41-,42-;26-,27-,30-,32+,40-,41-/m111/s1.
What are the key properties of cyclopentyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2,2-dimethylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate?
cyclopentyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2,2-dimethylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate has a molecular weight of 2416.91 g/mol, XLogP of 16.53, 22 rotatable bonds, 6 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2,2-dimethylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate;2-methylpropyl 2-[(1R,1'S,3S,4'R,6'S,7'Z,14'R)-1-fluoro-9-methoxy-5-methyl-4'-[(1-methylcyclopropyl)sulfonylcarbamoyl]-2',15'-dioxospiro[1,2-dihydropyrano[2,3-c]quinoline-3,18'-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene]-14'-yl]acetate is sourced from PubChem (CID 158039236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).