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

C214H160Cl4F9N27O6S12 — CID 161382041

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;4-chloro-3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-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-(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-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine
SMILESCOc1cc(Cl)ccc1-c1c[nH]c2nccc(-c3ccc(C)s3)c12.COc1cc(F)ccc1-c1c[nH]c2nccc(-c3ccc(C)s3)c12.COc1ccccc1-c1c[nH]c2nccc(-c3ccc(C)s3)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.Clc1ccnc2[nH]cc(-c3ccsc3)c12.OCc1ccccc1-c1ccnc2[nH]cc(-c3ccsc3)c12.c1cnc(N2CCOCC2)c(-c2c[nH]c3nccc(-c4ccsc4)c23)c1
InChIInChI=1S/C20H18N4OS.C19H15ClN2OS.C19H13F3N2S.C19H15FN2OS.C19H16N2OS.2C18H12ClFN2S.C18H12F2N2S.C18H13FN2S.C18H14N2OS.C17H13N3OS.C11H7ClN2S/c1-2-16(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;1-11-3-6-17(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;1-12-7-8-17(23-12)14-9-10-20-19-18(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;21-10-12-3-1-2-4-14(12)15-5-7-19-18-17(15)16(9-20-18)13-6-8-22-11-13;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;12-9-1-3-13-11-10(9)8(5-14-11)7-2-4-15-6-7/h1-6,11-13H,7-10H2,(H,21,23);3-10H,1-2H3,(H,21,22);2-10H,1H3,(H,23,24);3-10H,1-2H3,(H,21,22);3-11H,1-2H3,(H,20,21);3*2-9H,1H3,(H,21,22);2-10H,1H3,(H,20,21);1-9,11,21H,10H2,(H,19,20);2-10H,1H3,(H,18,20);1-6H,(H,13,14)
InChIKeyVRVQGLMVICBPML-UHFFFAOYSA-N
MW3903.41 g/mol
LogP62.92
Rot. Bonds29

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;4-chloro-3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-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-(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-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;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;4-chloro-3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-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-(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-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine (PubChem CID 161382041) has the molecular formula C214H160Cl4F9N27O6S12 and a molecular weight of 3903.41 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;4-chloro-3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-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-(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-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;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;4-chloro-3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-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-(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-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine
PubChem CID161382041
Molecular FormulaC214H160Cl4F9N27O6S12
Molecular Weight3903.41 g/mol
Exact Mass3897.83
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;4-chloro-3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-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-(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-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine
SMILESCOc1cc(Cl)ccc1-c1c[nH]c2nccc(-c3ccc(C)s3)c12.COc1cc(F)ccc1-c1c[nH]c2nccc(-c3ccc(C)s3)c12.COc1ccccc1-c1c[nH]c2nccc(-c3ccc(C)s3)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.Clc1ccnc2[nH]cc(-c3ccsc3)c12.OCc1ccccc1-c1ccnc2[nH]cc(-c3ccsc3)c12.c1cnc(N2CCOCC2)c(-c2c[nH]c3nccc(-c4ccsc4)c23)c1
InChIInChI=1S/C20H18N4OS.C19H15ClN2OS.C19H13F3N2S.C19H15FN2OS.C19H16N2OS.2C18H12ClFN2S.C18H12F2N2S.C18H13FN2S.C18H14N2OS.C17H13N3OS.C11H7ClN2S/c1-2-16(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;1-11-3-6-17(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;1-12-7-8-17(23-12)14-9-10-20-19-18(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;21-10-12-3-1-2-4-14(12)15-5-7-19-18-17(15)16(9-20-18)13-6-8-22-11-13;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;12-9-1-3-13-11-10(9)8(5-14-11)7-2-4-15-6-7/h1-6,11-13H,7-10H2,(H,21,23);3-10H,1-2H3,(H,21,22);2-10H,1H3,(H,23,24);3-10H,1-2H3,(H,21,22);3-11H,1-2H3,(H,20,21);3*2-9H,1H3,(H,21,22);2-10H,1H3,(H,20,21);1-9,11,21H,10H2,(H,19,20);2-10H,1H3,(H,18,20);1-6H,(H,13,14)
InChIKeyVRVQGLMVICBPML-UHFFFAOYSA-N
XLogP62.92
TPSA439.56 Ų
H-Bond Donors13
H-Bond Acceptors33
Rotatable Bonds29
Heavy Atoms272
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003903.41
LogP ≤ 562.92
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1033

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;4-chloro-3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-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-(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-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;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;4-chloro-3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-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-(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-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;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;4-chloro-3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-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-(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-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine (CID 161382041) 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;4-chloro-3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-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-(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-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;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;4-chloro-3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-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-(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-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;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;4-chloro-3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-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-(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-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine is COc1cc(Cl)ccc1-c1c[nH]c2nccc(-c3ccc(C)s3)c12.COc1cc(F)ccc1-c1c[nH]c2nccc(-c3ccc(C)s3)c12.COc1ccccc1-c1c[nH]c2nccc(-c3ccc(C)s3)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.Clc1ccnc2[nH]cc(-c3ccsc3)c12.OCc1ccccc1-c1ccnc2[nH]cc(-c3ccsc3)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;4-chloro-3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-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-(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-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine?
The InChIKey is VRVQGLMVICBPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4OS.C19H15ClN2OS.C19H13F3N2S.C19H15FN2OS.C19H16N2OS.2C18H12ClFN2S.C18H12F2N2S.C18H13FN2S.C18H14N2OS.C17H13N3OS.C11H7ClN2S/c1-2-16(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;1-11-3-6-17(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;1-12-7-8-17(23-12)14-9-10-20-19-18(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;21-10-12-3-1-2-4-14(12)15-5-7-19-18-17(15)16(9-20-18)13-6-8-22-11-13;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;12-9-1-3-13-11-10(9)8(5-14-11)7-2-4-15-6-7/h1-6,11-13H,7-10H2,(H,21,23);3-10H,1-2H3,(H,21,22);2-10H,1H3,(H,23,24);3-10H,1-2H3,(H,21,22);3-11H,1-2H3,(H,20,21);3*2-9H,1H3,(H,21,22);2-10H,1H3,(H,20,21);1-9,11,21H,10H2,(H,19,20);2-10H,1H3,(H,18,20);1-6H,(H,13,14).
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;4-chloro-3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-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-(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-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;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;4-chloro-3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-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-(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-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine has a molecular weight of 3903.41 g/mol, XLogP of 62.92, 29 rotatable bonds, 13 hydrogen bond donors, and 33 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;4-chloro-3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(2,4-difluorophenyl)-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-(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-(5-methylthiophen-2-yl)-3-[2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine;[2-(3-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)phenyl]methanol;4-[3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]morpholine is sourced from PubChem (CID 161382041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).