3-(2-chloro-3-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-fluoro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine

C245H193Cl3F9N31O8S13 — CID 158905441

IUPAC3-(2-chloro-3-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-fluoro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine
SMILESCCOc1ccccc1-c1c[nH]c2nccc(-c3ccc(C)s3)c12.COc1cc(Cl)ccc1-c1c[nH]c2nccc(-c3ccc(C)s3)c12.COc1cc(F)ccc1-c1c[nH]c2nccc(-c3ccc(C)s3)c12.COc1ccc(-c2c[nH]c3nccc(-c4ccc(C)s4)c23)cc1.COc1ccccc1-c1c[nH]c2nccc(-c3sccc3C)c12.COc1ncccc1-c1c[nH]c2nccc(-c3ccsc3)c12.Cc1ccc(-c2ccnc3[nH]cc(-c4ccc(Cl)cc4F)c23)s1.Cc1ccc(-c2ccnc3[nH]cc(-c4ccc(F)cc4F)c23)s1.Cc1ccc(-c2ccnc3[nH]cc(-c4cccc(F)c4Cl)c23)s1.Cc1ccc(-c2ccnc3[nH]cc(-c4ccccc4C(F)(F)F)c23)s1.Cc1ccc(-c2ccnc3[nH]cc(-c4ccccc4F)c23)s1.Cc1ccsc1-c1ccnc2[nH]cc(-c3cccnc3N3CCOCC3)c12.c1cnc(N2CCOCC2)c(-c2c[nH]c3nccc(-c4ccsc4)c23)c1
InChIInChI=1S/C21H20N4OS.C20H18N4OS.C20H18N2OS.C19H15ClN2OS.C19H13F3N2S.C19H15FN2OS.2C19H16N2OS.2C18H12ClFN2S.C18H12F2N2S.C18H13FN2S.C17H13N3OS/c1-14-5-12-27-19(14)16-4-7-22-20-18(16)17(13-24-20)15-3-2-6-23-21(15)25-8-10-26-11-9-25;1-2-16(20(22-5-1)24-7-9-25-10-8-24)17-12-23-19-18(17)15(3-6-21-19)14-4-11-26-13-14;1-3-23-17-7-5-4-6-14(17)16-12-22-20-19(16)15(10-11-21-20)18-9-8-13(2)24-18;1-11-3-6-17(24-11)14-7-8-21-19-18(14)15(10-22-19)13-5-4-12(20)9-16(13)23-2;1-11-6-7-16(25-11)13-8-9-23-18-17(13)14(10-24-18)12-4-2-3-5-15(12)19(20,21)22;1-11-3-6-17(24-11)14-7-8-21-19-18(14)15(10-22-19)13-5-4-12(20)9-16(13)23-2;1-12-3-8-17(23-12)15-9-10-20-19-18(15)16(11-21-19)13-4-6-14(22-2)7-5-13;1-12-8-10-23-18(12)14-7-9-20-19-17(14)15(11-21-19)13-5-3-4-6-16(13)22-2;1-10-2-5-16(23-10)13-6-7-21-18-17(13)14(9-22-18)12-4-3-11(19)8-15(12)20;1-10-5-6-15(23-10)12-7-8-21-18-16(12)13(9-22-18)11-3-2-4-14(20)17(11)19;1-10-2-5-16(23-10)13-6-7-21-18-17(13)14(9-22-18)12-4-3-11(19)8-15(12)20;1-11-6-7-16(22-11)13-8-9-20-18-17(13)14(10-21-18)12-4-2-3-5-15(12)19;1-21-17-13(3-2-6-19-17)14-9-20-16-15(14)12(4-7-18-16)11-5-8-22-10-11/h2-7,12-13H,8-11H2,1H3,(H,22,24);1-6,11-13H,7-10H2,(H,21,23);4-12H,3H2,1-2H3,(H,21,22);3-10H,1-2H3,(H,21,22);2-10H,1H3,(H,23,24);3-10H,1-2H3,(H,21,22);2*3-11H,1-2H3,(H,20,21);3*2-9H,1H3,(H,21,22);2-10H,1H3,(H,20,21);2-10H,1H3,(H,18,20)
InChIKeyJFZIFUKBCNGWJK-UHFFFAOYSA-N
MW4393.66 g/mol
LogP69.97
Rot. Bonds35

About 3-(2-chloro-3-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-fluoro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine

3-(2-chloro-3-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-fluoro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine (PubChem CID 158905441) has the molecular formula C245H193Cl3F9N31O8S13 and a molecular weight of 4393.66 g/mol. Its IUPAC name is 3-(2-chloro-3-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-fluoro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine.

Molecular Properties

Compound Name3-(2-chloro-3-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-fluoro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine
PubChem CID158905441
Molecular FormulaC245H193Cl3F9N31O8S13
Molecular Weight4393.66 g/mol
Exact Mass4388.09
IUPAC Name3-(2-chloro-3-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-fluoro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine
SMILESCCOc1ccccc1-c1c[nH]c2nccc(-c3ccc(C)s3)c12.COc1cc(Cl)ccc1-c1c[nH]c2nccc(-c3ccc(C)s3)c12.COc1cc(F)ccc1-c1c[nH]c2nccc(-c3ccc(C)s3)c12.COc1ccc(-c2c[nH]c3nccc(-c4ccc(C)s4)c23)cc1.COc1ccccc1-c1c[nH]c2nccc(-c3sccc3C)c12.COc1ncccc1-c1c[nH]c2nccc(-c3ccsc3)c12.Cc1ccc(-c2ccnc3[nH]cc(-c4ccc(Cl)cc4F)c23)s1.Cc1ccc(-c2ccnc3[nH]cc(-c4ccc(F)cc4F)c23)s1.Cc1ccc(-c2ccnc3[nH]cc(-c4cccc(F)c4Cl)c23)s1.Cc1ccc(-c2ccnc3[nH]cc(-c4ccccc4C(F)(F)F)c23)s1.Cc1ccc(-c2ccnc3[nH]cc(-c4ccccc4F)c23)s1.Cc1ccsc1-c1ccnc2[nH]cc(-c3cccnc3N3CCOCC3)c12.c1cnc(N2CCOCC2)c(-c2c[nH]c3nccc(-c4ccsc4)c23)c1
InChIInChI=1S/C21H20N4OS.C20H18N4OS.C20H18N2OS.C19H15ClN2OS.C19H13F3N2S.C19H15FN2OS.2C19H16N2OS.2C18H12ClFN2S.C18H12F2N2S.C18H13FN2S.C17H13N3OS/c1-14-5-12-27-19(14)16-4-7-22-20-18(16)17(13-24-20)15-3-2-6-23-21(15)25-8-10-26-11-9-25;1-2-16(20(22-5-1)24-7-9-25-10-8-24)17-12-23-19-18(17)15(3-6-21-19)14-4-11-26-13-14;1-3-23-17-7-5-4-6-14(17)16-12-22-20-19(16)15(10-11-21-20)18-9-8-13(2)24-18;1-11-3-6-17(24-11)14-7-8-21-19-18(14)15(10-22-19)13-5-4-12(20)9-16(13)23-2;1-11-6-7-16(25-11)13-8-9-23-18-17(13)14(10-24-18)12-4-2-3-5-15(12)19(20,21)22;1-11-3-6-17(24-11)14-7-8-21-19-18(14)15(10-22-19)13-5-4-12(20)9-16(13)23-2;1-12-3-8-17(23-12)15-9-10-20-19-18(15)16(11-21-19)13-4-6-14(22-2)7-5-13;1-12-8-10-23-18(12)14-7-9-20-19-17(14)15(11-21-19)13-5-3-4-6-16(13)22-2;1-10-2-5-16(23-10)13-6-7-21-18-17(13)14(9-22-18)12-4-3-11(19)8-15(12)20;1-10-5-6-15(23-10)12-7-8-21-18-16(12)13(9-22-18)11-3-2-4-14(20)17(11)19;1-10-2-5-16(23-10)13-6-7-21-18-17(13)14(9-22-18)12-4-3-11(19)8-15(12)20;1-11-6-7-16(22-11)13-8-9-20-18-17(13)14(10-21-18)12-4-2-3-5-15(12)19;1-21-17-13(3-2-6-19-17)14-9-20-16-15(14)12(4-7-18-16)11-5-8-22-10-11/h2-7,12-13H,8-11H2,1H3,(H,22,24);1-6,11-13H,7-10H2,(H,21,23);4-12H,3H2,1-2H3,(H,21,22);3-10H,1-2H3,(H,21,22);2-10H,1H3,(H,23,24);3-10H,1-2H3,(H,21,22);2*3-11H,1-2H3,(H,20,21);3*2-9H,1H3,(H,21,22);2-10H,1H3,(H,20,21);2-10H,1H3,(H,18,20)
InChIKeyJFZIFUKBCNGWJK-UHFFFAOYSA-N
XLogP69.97
TPSA491.83 Ų
H-Bond Donors13
H-Bond Acceptors39
Rotatable Bonds35
Heavy Atoms309
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004393.66
LogP ≤ 569.97
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1039

Analyze 3-(2-chloro-3-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-fluoro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-3-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-fluoro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine?
The IUPAC name of 3-(2-chloro-3-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-fluoro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine (CID 158905441) is 3-(2-chloro-3-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-fluoro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine.
What is the SMILES notation for 3-(2-chloro-3-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-fluoro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine?
The canonical SMILES for 3-(2-chloro-3-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-fluoro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine is CCOc1ccccc1-c1c[nH]c2nccc(-c3ccc(C)s3)c12.COc1cc(Cl)ccc1-c1c[nH]c2nccc(-c3ccc(C)s3)c12.COc1cc(F)ccc1-c1c[nH]c2nccc(-c3ccc(C)s3)c12.COc1ccc(-c2c[nH]c3nccc(-c4ccc(C)s4)c23)cc1.COc1ccccc1-c1c[nH]c2nccc(-c3sccc3C)c12.COc1ncccc1-c1c[nH]c2nccc(-c3ccsc3)c12.Cc1ccc(-c2ccnc3[nH]cc(-c4ccc(Cl)cc4F)c23)s1.Cc1ccc(-c2ccnc3[nH]cc(-c4ccc(F)cc4F)c23)s1.Cc1ccc(-c2ccnc3[nH]cc(-c4cccc(F)c4Cl)c23)s1.Cc1ccc(-c2ccnc3[nH]cc(-c4ccccc4C(F)(F)F)c23)s1.Cc1ccc(-c2ccnc3[nH]cc(-c4ccccc4F)c23)s1.Cc1ccsc1-c1ccnc2[nH]cc(-c3cccnc3N3CCOCC3)c12.c1cnc(N2CCOCC2)c(-c2c[nH]c3nccc(-c4ccsc4)c23)c1.
What is the InChIKey of 3-(2-chloro-3-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-fluoro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine?
The InChIKey is JFZIFUKBCNGWJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS.C20H18N4OS.C20H18N2OS.C19H15ClN2OS.C19H13F3N2S.C19H15FN2OS.2C19H16N2OS.2C18H12ClFN2S.C18H12F2N2S.C18H13FN2S.C17H13N3OS/c1-14-5-12-27-19(14)16-4-7-22-20-18(16)17(13-24-20)15-3-2-6-23-21(15)25-8-10-26-11-9-25;1-2-16(20(22-5-1)24-7-9-25-10-8-24)17-12-23-19-18(17)15(3-6-21-19)14-4-11-26-13-14;1-3-23-17-7-5-4-6-14(17)16-12-22-20-19(16)15(10-11-21-20)18-9-8-13(2)24-18;1-11-3-6-17(24-11)14-7-8-21-19-18(14)15(10-22-19)13-5-4-12(20)9-16(13)23-2;1-11-6-7-16(25-11)13-8-9-23-18-17(13)14(10-24-18)12-4-2-3-5-15(12)19(20,21)22;1-11-3-6-17(24-11)14-7-8-21-19-18(14)15(10-22-19)13-5-4-12(20)9-16(13)23-2;1-12-3-8-17(23-12)15-9-10-20-19-18(15)16(11-21-19)13-4-6-14(22-2)7-5-13;1-12-8-10-23-18(12)14-7-9-20-19-17(14)15(11-21-19)13-5-3-4-6-16(13)22-2;1-10-2-5-16(23-10)13-6-7-21-18-17(13)14(9-22-18)12-4-3-11(19)8-15(12)20;1-10-5-6-15(23-10)12-7-8-21-18-16(12)13(9-22-18)11-3-2-4-14(20)17(11)19;1-10-2-5-16(23-10)13-6-7-21-18-17(13)14(9-22-18)12-4-3-11(19)8-15(12)20;1-11-6-7-16(22-11)13-8-9-20-18-17(13)14(10-21-18)12-4-2-3-5-15(12)19;1-21-17-13(3-2-6-19-17)14-9-20-16-15(14)12(4-7-18-16)11-5-8-22-10-11/h2-7,12-13H,8-11H2,1H3,(H,22,24);1-6,11-13H,7-10H2,(H,21,23);4-12H,3H2,1-2H3,(H,21,22);3-10H,1-2H3,(H,21,22);2-10H,1H3,(H,23,24);3-10H,1-2H3,(H,21,22);2*3-11H,1-2H3,(H,20,21);3*2-9H,1H3,(H,21,22);2-10H,1H3,(H,20,21);2-10H,1H3,(H,18,20).
What are the key properties of 3-(2-chloro-3-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-fluoro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine?
3-(2-chloro-3-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-fluoro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine has a molecular weight of 4393.66 g/mol, XLogP of 69.97, 35 rotatable bonds, 13 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-3-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-ethoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-fluoro-2-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxyphenyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-methoxyphenyl)-4-(5-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-methoxy-3-pyridinyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-[3-[4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-2-pyridinyl]morpholine;4-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 158905441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).