[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-isocyano-3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone

C198H174Cl2F17N25O18S8 — CID 159333371

IUPAC[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-isocyano-3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
SMILESC=S(=O)(CCC)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(C)cc4)cc23)c1F.C=S(=O)(CCC)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.C=S(=O)(CCC)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(F)cc4)cc23)c1F.C=S(=O)(CCC)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(OC)cc4)cc23)c1F.C=S(=O)(CCC)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccc(F)c4)cc23)c1F.C=S(=O)(CCC)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccc(OC)c4)cc23)c1F.C=S(=O)(CCC)Nc1cccc(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.[C-]#[N+]c1c(C)cc(-c2cnc3[nH]cc(C(=O)c4c(F)ccc(NS(=C)(=O)CCC)c4F)c3c2)cc1C
InChIInChI=1S/C27H24F2N4O2S.2C25H23F2N3O3S.C25H23F2N3O2S.C24H20ClF2N3O2S.C24H21ClFN3O2S.2C24H20F3N3O2S/c1-6-9-36(5,35)33-22-8-7-21(28)23(24(22)29)26(34)20-14-32-27-19(20)12-18(13-31-27)17-10-15(2)25(30-4)16(3)11-17;1-4-11-34(3,32)30-21-10-9-20(26)22(23(21)27)24(31)19-14-29-25-18(19)12-16(13-28-25)15-5-7-17(33-2)8-6-15;1-4-10-34(3,32)30-21-9-8-20(26)22(23(21)27)24(31)19-14-29-25-18(19)12-16(13-28-25)15-6-5-7-17(11-15)33-2;1-4-11-33(3,32)30-21-10-9-20(26)22(23(21)27)24(31)19-14-29-25-18(19)12-17(13-28-25)16-7-5-15(2)6-8-16;1-3-10-33(2,32)30-20-9-8-19(26)21(22(20)27)23(31)18-13-29-24-17(18)11-15(12-28-24)14-4-6-16(25)7-5-14;1-3-11-32(2,31)29-21-6-4-5-18(22(21)26)23(30)20-14-28-24-19(20)12-16(13-27-24)15-7-9-17(25)10-8-15;1-3-10-33(2,32)30-20-9-8-19(26)21(22(20)27)23(31)18-13-29-24-17(18)11-15(12-28-24)14-4-6-16(25)7-5-14;1-3-9-33(2,32)30-20-8-7-19(26)21(22(20)27)23(31)18-13-29-24-17(18)11-15(12-28-24)14-5-4-6-16(25)10-14/h7-8,10-14H,5-6,9H2,1-3H3,(H,31,32)(H,33,35);5-10,12-14H,3-4,11H2,1-2H3,(H,28,29)(H,30,32);5-9,11-14H,3-4,10H2,1-2H3,(H,28,29)(H,30,32);5-10,12-14H,3-4,11H2,1-2H3,(H,28,29)(H,30,32);4-9,11-13H,2-3,10H2,1H3,(H,28,29)(H,30,32);4-10,12-14H,2-3,11H2,1H3,(H,27,28)(H,29,31);4-9,11-13H,2-3,10H2,1H3,(H,28,29)(H,30,32);4-8,10-13H,2-3,9H2,1H3,(H,28,29)(H,30,32)
InChIKeyLFFOMWHOYCMPOL-UHFFFAOYSA-N
MW3842.13 g/mol
LogP44.48
Rot. Bonds58

About [5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-isocyano-3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone

[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-isocyano-3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone (PubChem CID 159333371) has the molecular formula C198H174Cl2F17N25O18S8 and a molecular weight of 3842.13 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-isocyano-3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-isocyano-3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
PubChem CID159333371
Molecular FormulaC198H174Cl2F17N25O18S8
Molecular Weight3842.13 g/mol
Exact Mass3838.03
IUPAC Name[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-isocyano-3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone
SMILESC=S(=O)(CCC)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(C)cc4)cc23)c1F.C=S(=O)(CCC)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.C=S(=O)(CCC)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(F)cc4)cc23)c1F.C=S(=O)(CCC)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(OC)cc4)cc23)c1F.C=S(=O)(CCC)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccc(F)c4)cc23)c1F.C=S(=O)(CCC)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccc(OC)c4)cc23)c1F.C=S(=O)(CCC)Nc1cccc(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.[C-]#[N+]c1c(C)cc(-c2cnc3[nH]cc(C(=O)c4c(F)ccc(NS(=C)(=O)CCC)c4F)c3c2)cc1C
InChIInChI=1S/C27H24F2N4O2S.2C25H23F2N3O3S.C25H23F2N3O2S.C24H20ClF2N3O2S.C24H21ClFN3O2S.2C24H20F3N3O2S/c1-6-9-36(5,35)33-22-8-7-21(28)23(24(22)29)26(34)20-14-32-27-19(20)12-18(13-31-27)17-10-15(2)25(30-4)16(3)11-17;1-4-11-34(3,32)30-21-10-9-20(26)22(23(21)27)24(31)19-14-29-25-18(19)12-16(13-28-25)15-5-7-17(33-2)8-6-15;1-4-10-34(3,32)30-21-9-8-20(26)22(23(21)27)24(31)19-14-29-25-18(19)12-16(13-28-25)15-6-5-7-17(11-15)33-2;1-4-11-33(3,32)30-21-10-9-20(26)22(23(21)27)24(31)19-14-29-25-18(19)12-17(13-28-25)16-7-5-15(2)6-8-16;1-3-10-33(2,32)30-20-9-8-19(26)21(22(20)27)23(31)18-13-29-24-17(18)11-15(12-28-24)14-4-6-16(25)7-5-14;1-3-11-32(2,31)29-21-6-4-5-18(22(21)26)23(30)20-14-28-24-19(20)12-16(13-27-24)15-7-9-17(25)10-8-15;1-3-10-33(2,32)30-20-9-8-19(26)21(22(20)27)23(31)18-13-29-24-17(18)11-15(12-28-24)14-4-6-16(25)7-5-14;1-3-9-33(2,32)30-20-8-7-19(26)21(22(20)27)23(31)18-13-29-24-17(18)11-15(12-28-24)14-5-4-6-16(25)10-14/h7-8,10-14H,5-6,9H2,1-3H3,(H,31,32)(H,33,35);5-10,12-14H,3-4,11H2,1-2H3,(H,28,29)(H,30,32);5-9,11-14H,3-4,10H2,1-2H3,(H,28,29)(H,30,32);5-10,12-14H,3-4,11H2,1-2H3,(H,28,29)(H,30,32);4-9,11-13H,2-3,10H2,1H3,(H,28,29)(H,30,32);4-10,12-14H,2-3,11H2,1H3,(H,27,28)(H,29,31);4-9,11-13H,2-3,10H2,1H3,(H,28,29)(H,30,32);4-8,10-13H,2-3,9H2,1H3,(H,28,29)(H,30,32)
InChIKeyLFFOMWHOYCMPOL-UHFFFAOYSA-N
XLogP44.48
TPSA621.62 Ų
H-Bond Donors16
H-Bond Acceptors26
Rotatable Bonds58
Heavy Atoms268
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003842.13
LogP ≤ 544.48
H-Bond Donors ≤ 516
H-Bond Acceptors ≤ 1026

Analyze [5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-isocyano-3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-isocyano-3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The IUPAC name of [5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-isocyano-3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone (CID 159333371) is [5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-isocyano-3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-isocyano-3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The canonical SMILES for [5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-isocyano-3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone is C=S(=O)(CCC)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(C)cc4)cc23)c1F.C=S(=O)(CCC)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.C=S(=O)(CCC)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(F)cc4)cc23)c1F.C=S(=O)(CCC)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4ccc(OC)cc4)cc23)c1F.C=S(=O)(CCC)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccc(F)c4)cc23)c1F.C=S(=O)(CCC)Nc1ccc(F)c(C(=O)c2c[nH]c3ncc(-c4cccc(OC)c4)cc23)c1F.C=S(=O)(CCC)Nc1cccc(C(=O)c2c[nH]c3ncc(-c4ccc(Cl)cc4)cc23)c1F.[C-]#[N+]c1c(C)cc(-c2cnc3[nH]cc(C(=O)c4c(F)ccc(NS(=C)(=O)CCC)c4F)c3c2)cc1C.
What is the InChIKey of [5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-isocyano-3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
The InChIKey is LFFOMWHOYCMPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F2N4O2S.2C25H23F2N3O3S.C25H23F2N3O2S.C24H20ClF2N3O2S.C24H21ClFN3O2S.2C24H20F3N3O2S/c1-6-9-36(5,35)33-22-8-7-21(28)23(24(22)29)26(34)20-14-32-27-19(20)12-18(13-31-27)17-10-15(2)25(30-4)16(3)11-17;1-4-11-34(3,32)30-21-10-9-20(26)22(23(21)27)24(31)19-14-29-25-18(19)12-16(13-28-25)15-5-7-17(33-2)8-6-15;1-4-10-34(3,32)30-21-9-8-20(26)22(23(21)27)24(31)19-14-29-25-18(19)12-16(13-28-25)15-6-5-7-17(11-15)33-2;1-4-11-33(3,32)30-21-10-9-20(26)22(23(21)27)24(31)19-14-29-25-18(19)12-17(13-28-25)16-7-5-15(2)6-8-16;1-3-10-33(2,32)30-20-9-8-19(26)21(22(20)27)23(31)18-13-29-24-17(18)11-15(12-28-24)14-4-6-16(25)7-5-14;1-3-11-32(2,31)29-21-6-4-5-18(22(21)26)23(30)20-14-28-24-19(20)12-16(13-27-24)15-7-9-17(25)10-8-15;1-3-10-33(2,32)30-20-9-8-19(26)21(22(20)27)23(31)18-13-29-24-17(18)11-15(12-28-24)14-4-6-16(25)7-5-14;1-3-9-33(2,32)30-20-8-7-19(26)21(22(20)27)23(31)18-13-29-24-17(18)11-15(12-28-24)14-5-4-6-16(25)10-14/h7-8,10-14H,5-6,9H2,1-3H3,(H,31,32)(H,33,35);5-10,12-14H,3-4,11H2,1-2H3,(H,28,29)(H,30,32);5-9,11-14H,3-4,10H2,1-2H3,(H,28,29)(H,30,32);5-10,12-14H,3-4,11H2,1-2H3,(H,28,29)(H,30,32);4-9,11-13H,2-3,10H2,1H3,(H,28,29)(H,30,32);4-10,12-14H,2-3,11H2,1H3,(H,27,28)(H,29,31);4-9,11-13H,2-3,10H2,1H3,(H,28,29)(H,30,32);4-8,10-13H,2-3,9H2,1H3,(H,28,29)(H,30,32).
What are the key properties of [5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-isocyano-3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone?
[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-isocyano-3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone has a molecular weight of 3842.13 g/mol, XLogP of 44.48, 58 rotatable bonds, 16 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[5-(4-chlorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-[2-fluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-isocyano-3,5-dimethylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(3-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone;[2,6-difluoro-3-[(methylidene-oxo-propyl-λ6-sulfanyl)amino]phenyl]-[5-(4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]methanone is sourced from PubChem (CID 159333371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).