(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2R)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-3-methylbutanoate;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-4-methylsulfanylbutanoate;dihydrochloride

C110H120Cl6F4N14O22S — CID 160752078

IUPAC(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2R)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-3-methylbutanoate;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-4-methylsulfanylbutanoate;dihydrochloride
SMILESCC(C)[C@H](N)C(=O)O[C@@H](C)CN1C(=O)c2c3c(c(O)c(=O)n2[C@@]12CC[C@H]1C[C@H]12)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3.CSCC[C@H](N)C(=O)O[C@@H](C)CN1C(=O)c2c3c(c(O)c(=O)n2[C@@]12CC[C@H]1C[C@H]12)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3.C[C@@H](O)CN1C(=O)c2c3c(c(O)c(=O)n2[C@@]12CC[C@H]1C[C@H]12)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3.C[C@H](O)CN1C(=O)c2c3c(c(O)c(=O)n2[C@@]12CC[C@H]1C[C@H]12)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3.Cl.Cl
InChIInChI=1S/C30H34ClFN4O6S.C30H34ClFN4O6.2C25H25ClFN3O5.2ClH/c1-15(42-29(41)22(33)7-10-43-2)13-35-27(39)24-18-6-9-34(14-16-3-4-21(32)20(31)11-16)26(38)23(18)25(37)28(40)36(24)30(35)8-5-17-12-19(17)30;1-14(2)23(33)29(41)42-15(3)12-35-27(39)24-18-7-9-34(13-16-4-5-21(32)20(31)10-16)26(38)22(18)25(37)28(40)36(24)30(35)8-6-17-11-19(17)30;2*1-12(31)10-29-23(34)20-15-5-7-28(11-13-2-3-18(27)17(26)8-13)22(33)19(15)21(32)24(35)30(20)25(29)6-4-14-9-16(14)25;;/h3-4,11,15,17,19,22,37H,5-10,12-14,33H2,1-2H3;4-5,10,14-15,17,19,23,37H,6-9,11-13,33H2,1-3H3;2*2-3,8,12,14,16,31-32H,4-7,9-11H2,1H3;2*1H/t15-,17-,19+,22-,30+;15-,17-,19+,23-,30+;12-,14+,16-,25-;12-,14-,16+,25+;;/m0010../s1
InChIKeyMVKKCEMCFQFMMF-NKHLRJAXSA-N
MW2311.02 g/mol
LogP11.87
Rot. Bonds24

About (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2R)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-3-methylbutanoate;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-4-methylsulfanylbutanoate;dihydrochloride

(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2R)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-3-methylbutanoate;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-4-methylsulfanylbutanoate;dihydrochloride (PubChem CID 160752078) has the molecular formula C110H120Cl6F4N14O22S and a molecular weight of 2311.02 g/mol. Its IUPAC name is (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2R)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-3-methylbutanoate;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-4-methylsulfanylbutanoate;dihydrochloride.

Molecular Properties

Compound Name(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2R)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-3-methylbutanoate;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-4-methylsulfanylbutanoate;dihydrochloride
PubChem CID160752078
Molecular FormulaC110H120Cl6F4N14O22S
Molecular Weight2311.02 g/mol
Exact Mass2306.65
IUPAC Name(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2R)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-3-methylbutanoate;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-4-methylsulfanylbutanoate;dihydrochloride
SMILESCC(C)[C@H](N)C(=O)O[C@@H](C)CN1C(=O)c2c3c(c(O)c(=O)n2[C@@]12CC[C@H]1C[C@H]12)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3.CSCC[C@H](N)C(=O)O[C@@H](C)CN1C(=O)c2c3c(c(O)c(=O)n2[C@@]12CC[C@H]1C[C@H]12)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3.C[C@@H](O)CN1C(=O)c2c3c(c(O)c(=O)n2[C@@]12CC[C@H]1C[C@H]12)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3.C[C@H](O)CN1C(=O)c2c3c(c(O)c(=O)n2[C@@]12CC[C@H]1C[C@H]12)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3.Cl.Cl
InChIInChI=1S/C30H34ClFN4O6S.C30H34ClFN4O6.2C25H25ClFN3O5.2ClH/c1-15(42-29(41)22(33)7-10-43-2)13-35-27(39)24-18-6-9-34(14-16-3-4-21(32)20(31)11-16)26(38)23(18)25(37)28(40)36(24)30(35)8-5-17-12-19(17)30;1-14(2)23(33)29(41)42-15(3)12-35-27(39)24-18-7-9-34(13-16-4-5-21(32)20(31)10-16)26(38)22(18)25(37)28(40)36(24)30(35)8-6-17-11-19(17)30;2*1-12(31)10-29-23(34)20-15-5-7-28(11-13-2-3-18(27)17(26)8-13)22(33)19(15)21(32)24(35)30(20)25(29)6-4-14-9-16(14)25;;/h3-4,11,15,17,19,22,37H,5-10,12-14,33H2,1-2H3;4-5,10,14-15,17,19,23,37H,6-9,11-13,33H2,1-3H3;2*2-3,8,12,14,16,31-32H,4-7,9-11H2,1H3;2*1H/t15-,17-,19+,22-,30+;15-,17-,19+,23-,30+;12-,14+,16-,25-;12-,14-,16+,25+;;/m0010../s1
InChIKeyMVKKCEMCFQFMMF-NKHLRJAXSA-N
XLogP11.87
TPSA476.50 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds24
Heavy Atoms157
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002311.02
LogP ≤ 511.87
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2R)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-3-methylbutanoate;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-4-methylsulfanylbutanoate;dihydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2R)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-3-methylbutanoate;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-4-methylsulfanylbutanoate;dihydrochloride?
The IUPAC name of (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2R)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-3-methylbutanoate;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-4-methylsulfanylbutanoate;dihydrochloride (CID 160752078) is (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2R)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-3-methylbutanoate;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-4-methylsulfanylbutanoate;dihydrochloride.
What is the SMILES notation for (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2R)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-3-methylbutanoate;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-4-methylsulfanylbutanoate;dihydrochloride?
The canonical SMILES for (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2R)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-3-methylbutanoate;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-4-methylsulfanylbutanoate;dihydrochloride is CC(C)[C@H](N)C(=O)O[C@@H](C)CN1C(=O)c2c3c(c(O)c(=O)n2[C@@]12CC[C@H]1C[C@H]12)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3.CSCC[C@H](N)C(=O)O[C@@H](C)CN1C(=O)c2c3c(c(O)c(=O)n2[C@@]12CC[C@H]1C[C@H]12)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3.C[C@@H](O)CN1C(=O)c2c3c(c(O)c(=O)n2[C@@]12CC[C@H]1C[C@H]12)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3.C[C@H](O)CN1C(=O)c2c3c(c(O)c(=O)n2[C@@]12CC[C@H]1C[C@H]12)C(=O)N(Cc1ccc(F)c(Cl)c1)CC3.Cl.Cl.
What is the InChIKey of (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2R)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-3-methylbutanoate;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-4-methylsulfanylbutanoate;dihydrochloride?
The InChIKey is MVKKCEMCFQFMMF-NKHLRJAXSA-N. The full InChI is InChI=1S/C30H34ClFN4O6S.C30H34ClFN4O6.2C25H25ClFN3O5.2ClH/c1-15(42-29(41)22(33)7-10-43-2)13-35-27(39)24-18-6-9-34(14-16-3-4-21(32)20(31)11-16)26(38)23(18)25(37)28(40)36(24)30(35)8-5-17-12-19(17)30;1-14(2)23(33)29(41)42-15(3)12-35-27(39)24-18-7-9-34(13-16-4-5-21(32)20(31)10-16)26(38)22(18)25(37)28(40)36(24)30(35)8-6-17-11-19(17)30;2*1-12(31)10-29-23(34)20-15-5-7-28(11-13-2-3-18(27)17(26)8-13)22(33)19(15)21(32)24(35)30(20)25(29)6-4-14-9-16(14)25;;/h3-4,11,15,17,19,22,37H,5-10,12-14,33H2,1-2H3;4-5,10,14-15,17,19,23,37H,6-9,11-13,33H2,1-3H3;2*2-3,8,12,14,16,31-32H,4-7,9-11H2,1H3;2*1H/t15-,17-,19+,22-,30+;15-,17-,19+,23-,30+;12-,14+,16-,25-;12-,14-,16+,25+;;/m0010../s1.
What are the key properties of (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2R)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-3-methylbutanoate;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-4-methylsulfanylbutanoate;dihydrochloride?
(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2R)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-3-methylbutanoate;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-4-methylsulfanylbutanoate;dihydrochloride has a molecular weight of 2311.02 g/mol, XLogP of 11.87, 24 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for (1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2R)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-2-[(2S)-2-hydroxypropyl]spiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-1,5,7-trione;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-3-methylbutanoate;[(2S)-1-[(1'R,3R,5'S)-8-[(3-chloro-4-fluorophenyl)methyl]-6-hydroxy-1,5,7-trioxospiro[9,10-dihydroimidazo[5,1-a][2,6]naphthyridine-3,2'-bicyclo[3.1.0]hexane]-2-yl]propan-2-yl] (2S)-2-amino-4-methylsulfanylbutanoate;dihydrochloride is sourced from PubChem (CID 160752078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).