(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[(2S)-2,3-dihydroxypropyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-2-hydroxybutyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2R)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

C136H157Cl10F10N15O19 — CID 158338083

IUPAC(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[(2S)-2,3-dihydroxypropyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-2-hydroxybutyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2R)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCC(C)(C)C[C@H]1N[C@@H](C(=O)NCC(CO)CO)[C@H](c2ccc(F)c(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12.CC(C)(C)C[C@H]1N[C@@H](C(=O)NC[C@@H](CO)CCO)[C@H](c2ccc(F)c(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12.CC(C)(C)C[C@H]1N[C@@H](C(=O)NC[C@H](CO)CCO)[C@H](c2ccc(F)c(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12.CC(C)(C)C[C@H]1N[C@@H](C(=O)NC[C@H](O)CO)[C@H](c2ccc(F)c(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12.CC[C@H](O)CNC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1ccc(F)c(Cl)c1
InChIInChI=1S/2C28H33Cl2F2N3O4.C27H31Cl2F2N3O4.C27H31Cl2F2N3O3.C26H29Cl2F2N3O4/c2*1-27(2,3)11-22-28(16-9-20(32)18(30)10-21(16)34-26(28)39)23(15-4-5-19(31)17(29)8-15)24(35-22)25(38)33-12-14(13-37)6-7-36;1-26(2,3)9-21-27(15-7-19(31)17(29)8-20(15)33-25(27)38)22(14-4-5-18(30)16(28)6-14)23(34-21)24(37)32-10-13(11-35)12-36;1-5-14(35)12-32-24(36)23-22(13-6-7-18(30)16(28)8-13)27(21(34-23)11-26(2,3)4)15-9-19(31)17(29)10-20(15)33-25(27)37;1-25(2,3)9-20-26(14-7-18(30)16(28)8-19(14)32-24(26)37)21(12-4-5-17(29)15(27)6-12)22(33-20)23(36)31-10-13(35)11-34/h2*4-5,8-10,14,22-24,35-37H,6-7,11-13H2,1-3H3,(H,33,38)(H,34,39);4-8,13,21-23,34-36H,9-12H2,1-3H3,(H,32,37)(H,33,38);6-10,14,21-23,34-35H,5,11-12H2,1-4H3,(H,32,36)(H,33,37);4-8,13,20-22,33-35H,9-11H2,1-3H3,(H,31,36)(H,32,37)/t14-,22+,23-,24+,28-;14-,22-,23+,24-,28+;21-,22+,23-,27+;14-,21+,22-,23+,27-;13-,20+,21-,22+,26-/m01100/s1
InChIKeyGQVFIJHQJPXLIQ-LTCGRZEFSA-N
MW2850.35 g/mol
LogP20.40
Rot. Bonds35

About (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[(2S)-2,3-dihydroxypropyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-2-hydroxybutyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2R)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide

(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[(2S)-2,3-dihydroxypropyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-2-hydroxybutyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2R)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (PubChem CID 158338083) has the molecular formula C136H157Cl10F10N15O19 and a molecular weight of 2850.35 g/mol. Its IUPAC name is (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[(2S)-2,3-dihydroxypropyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-2-hydroxybutyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2R)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.

Molecular Properties

Compound Name(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[(2S)-2,3-dihydroxypropyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-2-hydroxybutyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2R)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
PubChem CID158338083
Molecular FormulaC136H157Cl10F10N15O19
Molecular Weight2850.35 g/mol
Exact Mass2843.85
IUPAC Name(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[(2S)-2,3-dihydroxypropyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-2-hydroxybutyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2R)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide
SMILESCC(C)(C)C[C@H]1N[C@@H](C(=O)NCC(CO)CO)[C@H](c2ccc(F)c(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12.CC(C)(C)C[C@H]1N[C@@H](C(=O)NC[C@@H](CO)CCO)[C@H](c2ccc(F)c(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12.CC(C)(C)C[C@H]1N[C@@H](C(=O)NC[C@H](CO)CCO)[C@H](c2ccc(F)c(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12.CC(C)(C)C[C@H]1N[C@@H](C(=O)NC[C@H](O)CO)[C@H](c2ccc(F)c(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12.CC[C@H](O)CNC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1ccc(F)c(Cl)c1
InChIInChI=1S/2C28H33Cl2F2N3O4.C27H31Cl2F2N3O4.C27H31Cl2F2N3O3.C26H29Cl2F2N3O4/c2*1-27(2,3)11-22-28(16-9-20(32)18(30)10-21(16)34-26(28)39)23(15-4-5-19(31)17(29)8-15)24(35-22)25(38)33-12-14(13-37)6-7-36;1-26(2,3)9-21-27(15-7-19(31)17(29)8-20(15)33-25(27)38)22(14-4-5-18(30)16(28)6-14)23(34-21)24(37)32-10-13(11-35)12-36;1-5-14(35)12-32-24(36)23-22(13-6-7-18(30)16(28)8-13)27(21(34-23)11-26(2,3)4)15-9-19(31)17(29)10-20(15)33-25(27)37;1-25(2,3)9-20-26(14-7-18(30)16(28)8-19(14)32-24(26)37)21(12-4-5-17(29)15(27)6-12)22(33-20)23(36)31-10-13(35)11-34/h2*4-5,8-10,14,22-24,35-37H,6-7,11-13H2,1-3H3,(H,33,38)(H,34,39);4-8,13,21-23,34-36H,9-12H2,1-3H3,(H,32,37)(H,33,38);6-10,14,21-23,34-35H,5,11-12H2,1-4H3,(H,32,36)(H,33,37);4-8,13,20-22,33-35H,9-11H2,1-3H3,(H,31,36)(H,32,37)/t14-,22+,23-,24+,28-;14-,22-,23+,24-,28+;21-,22+,23-,27+;14-,21+,22-,23+,27-;13-,20+,21-,22+,26-/m01100/s1
InChIKeyGQVFIJHQJPXLIQ-LTCGRZEFSA-N
XLogP20.40
TPSA533.22 Ų
H-Bond Donors24
H-Bond Acceptors24
Rotatable Bonds35
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002850.35
LogP ≤ 520.40
H-Bond Donors ≤ 524
H-Bond Acceptors ≤ 1024

Analyze (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[(2S)-2,3-dihydroxypropyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-2-hydroxybutyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2R)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[(2S)-2,3-dihydroxypropyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-2-hydroxybutyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2R)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The IUPAC name of (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[(2S)-2,3-dihydroxypropyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-2-hydroxybutyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2R)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide (CID 158338083) is (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[(2S)-2,3-dihydroxypropyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-2-hydroxybutyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2R)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide.
What is the SMILES notation for (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[(2S)-2,3-dihydroxypropyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-2-hydroxybutyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2R)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The canonical SMILES for (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[(2S)-2,3-dihydroxypropyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-2-hydroxybutyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2R)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC(CO)CO)[C@H](c2ccc(F)c(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12.CC(C)(C)C[C@H]1N[C@@H](C(=O)NC[C@@H](CO)CCO)[C@H](c2ccc(F)c(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12.CC(C)(C)C[C@H]1N[C@@H](C(=O)NC[C@H](CO)CCO)[C@H](c2ccc(F)c(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12.CC(C)(C)C[C@H]1N[C@@H](C(=O)NC[C@H](O)CO)[C@H](c2ccc(F)c(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)c(F)cc12.CC[C@H](O)CNC(=O)[C@@H]1N[C@H](CC(C)(C)C)[C@]2(C(=O)Nc3cc(Cl)c(F)cc32)[C@H]1c1ccc(F)c(Cl)c1.
What is the InChIKey of (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[(2S)-2,3-dihydroxypropyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-2-hydroxybutyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2R)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
The InChIKey is GQVFIJHQJPXLIQ-LTCGRZEFSA-N. The full InChI is InChI=1S/2C28H33Cl2F2N3O4.C27H31Cl2F2N3O4.C27H31Cl2F2N3O3.C26H29Cl2F2N3O4/c2*1-27(2,3)11-22-28(16-9-20(32)18(30)10-21(16)34-26(28)39)23(15-4-5-19(31)17(29)8-15)24(35-22)25(38)33-12-14(13-37)6-7-36;1-26(2,3)9-21-27(15-7-19(31)17(29)8-20(15)33-25(27)38)22(14-4-5-18(30)16(28)6-14)23(34-21)24(37)32-10-13(11-35)12-36;1-5-14(35)12-32-24(36)23-22(13-6-7-18(30)16(28)8-13)27(21(34-23)11-26(2,3)4)15-9-19(31)17(29)10-20(15)33-25(27)37;1-25(2,3)9-20-26(14-7-18(30)16(28)8-19(14)32-24(26)37)21(12-4-5-17(29)15(27)6-12)22(33-20)23(36)31-10-13(35)11-34/h2*4-5,8-10,14,22-24,35-37H,6-7,11-13H2,1-3H3,(H,33,38)(H,34,39);4-8,13,21-23,34-36H,9-12H2,1-3H3,(H,32,37)(H,33,38);6-10,14,21-23,34-35H,5,11-12H2,1-4H3,(H,32,36)(H,33,37);4-8,13,20-22,33-35H,9-11H2,1-3H3,(H,31,36)(H,32,37)/t14-,22+,23-,24+,28-;14-,22-,23+,24-,28+;21-,22+,23-,27+;14-,21+,22-,23+,27-;13-,20+,21-,22+,26-/m01100/s1.
What are the key properties of (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[(2S)-2,3-dihydroxypropyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-2-hydroxybutyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2R)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide?
(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[(2S)-2,3-dihydroxypropyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-2-hydroxybutyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2R)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide has a molecular weight of 2850.35 g/mol, XLogP of 20.40, 35 rotatable bonds, 24 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-N-[(2S)-2,3-dihydroxypropyl]-5'-(2,2-dimethylpropyl)-5-fluoro-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-2-hydroxybutyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2S)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[(2R)-4-hydroxy-2-(hydroxymethyl)butyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide;(2'R,3S,3'R,5'R)-6-chloro-3'-(3-chloro-4-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-fluoro-N-[3-hydroxy-2-(hydroxymethyl)propyl]-2-oxospiro[1H-indole-3,4'-pyrrolidine]-2'-carboxamide is sourced from PubChem (CID 158338083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).