3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;4-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-[2-fluoro-4-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;[1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]azetidin-2-yl]methanol;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine

C210H179F9N30O18S14 — CID 157355643

IUPAC3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;4-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-[2-fluoro-4-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;[1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]azetidin-2-yl]methanol;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCCN(CC)S(=O)(=O)c1ccccc1-c1c[nH]c2nccc(-c3ccsc3)c12.CN(C)S(=O)(=O)c1ccccc1-c1c[nH]c2nccc(-c3ccsc3)c12.COc1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c(OC)c1.COc1ccccc1-c1c[nH]c2nccc(N3CC(F)(F)C3)c12.COc1ccccc1-c1c[nH]c2nccc(N3CCC3CO)c12.COc1ncccc1-c1c[nH]c2nccc(-c3sccc3C)c12.FC(F)(F)Oc1ccccc1-c1c[nH]c2nccc(-c3ccsc3)c12.Fc1cc(OC(F)(F)F)ccc1-c1c[nH]c2nccc(-c3ccsc3)c12.O=S(=O)(c1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)cc1)N1CCC1.O=S(=O)(c1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)cc1)N1CCCC1.O=S(=O)(c1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1)N1CCCC1
InChIInChI=1S/2C21H19N3O2S2.C21H21N3O2S2.C20H17N3O2S2.C19H17N3O2S2.C19H16N2O2S.C18H10F4N2OS.C18H11F3N2OS.C18H19N3O2.C18H15N3OS.C17H15F2N3O/c25-28(26,24-10-1-2-11-24)17-5-3-15(4-6-17)19-13-23-21-20(19)18(7-9-22-21)16-8-12-27-14-16;25-28(26,24-9-1-2-10-24)17-5-3-4-15(12-17)19-13-23-21-20(19)18(6-8-22-21)16-7-11-27-14-16;1-3-24(4-2)28(25,26)19-8-6-5-7-17(19)18-13-23-21-20(18)16(9-11-22-21)15-10-12-27-14-15;24-27(25,23-9-1-10-23)16-4-2-14(3-5-16)18-12-22-20-19(18)17(6-8-21-20)15-7-11-26-13-15;1-22(2)26(23,24)17-6-4-3-5-15(17)16-11-21-19-18(16)14(7-9-20-19)13-8-10-25-12-13;1-22-13-3-4-15(17(9-13)23-2)16-10-21-19-18(16)14(5-7-20-19)12-6-8-24-11-12;19-15-7-11(25-18(20,21)22)1-2-13(15)14-8-24-17-16(14)12(3-5-23-17)10-4-6-26-9-10;19-18(20,21)24-15-4-2-1-3-13(15)14-9-23-17-16(14)12(5-7-22-17)11-6-8-25-10-11;1-23-16-5-3-2-4-13(16)14-10-20-18-17(14)15(6-8-19-18)21-9-7-12(21)11-22;1-11-6-9-23-16(11)13-5-8-19-17-15(13)14(10-21-17)12-4-3-7-20-18(12)22-2;1-23-14-5-3-2-4-11(14)12-8-21-16-15(12)13(6-7-20-16)22-9-17(18,19)10-22/h3-9,12-14H,1-2,10-11H2,(H,22,23);3-8,11-14H,1-2,9-10H2,(H,22,23);5-14H,3-4H2,1-2H3,(H,22,23);2-8,11-13H,1,9-10H2,(H,21,22);3-12H,1-2H3,(H,20,21);3-11H,1-2H3,(H,20,21);1-9H,(H,23,24);1-10H,(H,22,23);2-6,8,10,12,22H,7,9,11H2,1H3,(H,19,20);3-10H,1-2H3,(H,19,21);2-8H,9-10H2,1H3,(H,20,21)
InChIKeyBIAYUTWMIOJPPD-UHFFFAOYSA-N
MW4030.85 g/mol
LogP51.04
Rot. Bonds42

About 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;4-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-[2-fluoro-4-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;[1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]azetidin-2-yl]methanol;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine

3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;4-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-[2-fluoro-4-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;[1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]azetidin-2-yl]methanol;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 157355643) has the molecular formula C210H179F9N30O18S14 and a molecular weight of 4030.85 g/mol. Its IUPAC name is 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;4-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-[2-fluoro-4-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;[1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]azetidin-2-yl]methanol;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;4-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-[2-fluoro-4-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;[1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]azetidin-2-yl]methanol;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID157355643
Molecular FormulaC210H179F9N30O18S14
Molecular Weight4030.85 g/mol
Exact Mass4027.00
IUPAC Name3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;4-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-[2-fluoro-4-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;[1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]azetidin-2-yl]methanol;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCCN(CC)S(=O)(=O)c1ccccc1-c1c[nH]c2nccc(-c3ccsc3)c12.CN(C)S(=O)(=O)c1ccccc1-c1c[nH]c2nccc(-c3ccsc3)c12.COc1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c(OC)c1.COc1ccccc1-c1c[nH]c2nccc(N3CC(F)(F)C3)c12.COc1ccccc1-c1c[nH]c2nccc(N3CCC3CO)c12.COc1ncccc1-c1c[nH]c2nccc(-c3sccc3C)c12.FC(F)(F)Oc1ccccc1-c1c[nH]c2nccc(-c3ccsc3)c12.Fc1cc(OC(F)(F)F)ccc1-c1c[nH]c2nccc(-c3ccsc3)c12.O=S(=O)(c1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)cc1)N1CCC1.O=S(=O)(c1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)cc1)N1CCCC1.O=S(=O)(c1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1)N1CCCC1
InChIInChI=1S/2C21H19N3O2S2.C21H21N3O2S2.C20H17N3O2S2.C19H17N3O2S2.C19H16N2O2S.C18H10F4N2OS.C18H11F3N2OS.C18H19N3O2.C18H15N3OS.C17H15F2N3O/c25-28(26,24-10-1-2-11-24)17-5-3-15(4-6-17)19-13-23-21-20(19)18(7-9-22-21)16-8-12-27-14-16;25-28(26,24-9-1-2-10-24)17-5-3-4-15(12-17)19-13-23-21-20(19)18(6-8-22-21)16-7-11-27-14-16;1-3-24(4-2)28(25,26)19-8-6-5-7-17(19)18-13-23-21-20(18)16(9-11-22-21)15-10-12-27-14-15;24-27(25,23-9-1-10-23)16-4-2-14(3-5-16)18-12-22-20-19(18)17(6-8-21-20)15-7-11-26-13-15;1-22(2)26(23,24)17-6-4-3-5-15(17)16-11-21-19-18(16)14(7-9-20-19)13-8-10-25-12-13;1-22-13-3-4-15(17(9-13)23-2)16-10-21-19-18(16)14(5-7-20-19)12-6-8-24-11-12;19-15-7-11(25-18(20,21)22)1-2-13(15)14-8-24-17-16(14)12(3-5-23-17)10-4-6-26-9-10;19-18(20,21)24-15-4-2-1-3-13(15)14-9-23-17-16(14)12(5-7-22-17)11-6-8-25-10-11;1-23-16-5-3-2-4-13(16)14-10-20-18-17(14)15(6-8-19-18)21-9-7-12(21)11-22;1-11-6-9-23-16(11)13-5-8-19-17-15(13)14(10-21-17)12-4-3-7-20-18(12)22-2;1-23-14-5-3-2-4-11(14)12-8-21-16-15(12)13(6-7-20-16)22-9-17(18,19)10-22/h3-9,12-14H,1-2,10-11H2,(H,22,23);3-8,11-14H,1-2,9-10H2,(H,22,23);5-14H,3-4H2,1-2H3,(H,22,23);2-8,11-13H,1,9-10H2,(H,21,22);3-12H,1-2H3,(H,20,21);3-11H,1-2H3,(H,20,21);1-9H,(H,23,24);1-10H,(H,22,23);2-6,8,10,12,22H,7,9,11H2,1H3,(H,19,20);3-10H,1-2H3,(H,19,21);2-8H,9-10H2,1H3,(H,20,21)
InChIKeyBIAYUTWMIOJPPD-UHFFFAOYSA-N
XLogP51.04
TPSA606.59 Ų
H-Bond Donors12
H-Bond Acceptors41
Rotatable Bonds42
Heavy Atoms281
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004030.85
LogP ≤ 551.04
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1041

Analyze 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;4-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-[2-fluoro-4-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;[1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]azetidin-2-yl]methanol;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine with MolForge

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Related Compounds

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4-(2-methoxyphenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-1,3-thiazole;2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-4-(3-methylphenyl)-1,3-thiazole
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Frequently Asked Questions

What is the IUPAC name of 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;4-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-[2-fluoro-4-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;[1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]azetidin-2-yl]methanol;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;4-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-[2-fluoro-4-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;[1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]azetidin-2-yl]methanol;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 157355643) is 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;4-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-[2-fluoro-4-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;[1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]azetidin-2-yl]methanol;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;4-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-[2-fluoro-4-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;[1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]azetidin-2-yl]methanol;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;4-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-[2-fluoro-4-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;[1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]azetidin-2-yl]methanol;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine is CCN(CC)S(=O)(=O)c1ccccc1-c1c[nH]c2nccc(-c3ccsc3)c12.CN(C)S(=O)(=O)c1ccccc1-c1c[nH]c2nccc(-c3ccsc3)c12.COc1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c(OC)c1.COc1ccccc1-c1c[nH]c2nccc(N3CC(F)(F)C3)c12.COc1ccccc1-c1c[nH]c2nccc(N3CCC3CO)c12.COc1ncccc1-c1c[nH]c2nccc(-c3sccc3C)c12.FC(F)(F)Oc1ccccc1-c1c[nH]c2nccc(-c3ccsc3)c12.Fc1cc(OC(F)(F)F)ccc1-c1c[nH]c2nccc(-c3ccsc3)c12.O=S(=O)(c1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)cc1)N1CCC1.O=S(=O)(c1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)cc1)N1CCCC1.O=S(=O)(c1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1)N1CCCC1.
What is the InChIKey of 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;4-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-[2-fluoro-4-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;[1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]azetidin-2-yl]methanol;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is BIAYUTWMIOJPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H19N3O2S2.C21H21N3O2S2.C20H17N3O2S2.C19H17N3O2S2.C19H16N2O2S.C18H10F4N2OS.C18H11F3N2OS.C18H19N3O2.C18H15N3OS.C17H15F2N3O/c25-28(26,24-10-1-2-11-24)17-5-3-15(4-6-17)19-13-23-21-20(19)18(7-9-22-21)16-8-12-27-14-16;25-28(26,24-9-1-2-10-24)17-5-3-4-15(12-17)19-13-23-21-20(19)18(6-8-22-21)16-7-11-27-14-16;1-3-24(4-2)28(25,26)19-8-6-5-7-17(19)18-13-23-21-20(18)16(9-11-22-21)15-10-12-27-14-15;24-27(25,23-9-1-10-23)16-4-2-14(3-5-16)18-12-22-20-19(18)17(6-8-21-20)15-7-11-26-13-15;1-22(2)26(23,24)17-6-4-3-5-15(17)16-11-21-19-18(16)14(7-9-20-19)13-8-10-25-12-13;1-22-13-3-4-15(17(9-13)23-2)16-10-21-19-18(16)14(5-7-20-19)12-6-8-24-11-12;19-15-7-11(25-18(20,21)22)1-2-13(15)14-8-24-17-16(14)12(3-5-23-17)10-4-6-26-9-10;19-18(20,21)24-15-4-2-1-3-13(15)14-9-23-17-16(14)12(5-7-22-17)11-6-8-25-10-11;1-23-16-5-3-2-4-13(16)14-10-20-18-17(14)15(6-8-19-18)21-9-7-12(21)11-22;1-11-6-9-23-16(11)13-5-8-19-17-15(13)14(10-21-17)12-4-3-7-20-18(12)22-2;1-23-14-5-3-2-4-11(14)12-8-21-16-15(12)13(6-7-20-16)22-9-17(18,19)10-22/h3-9,12-14H,1-2,10-11H2,(H,22,23);3-8,11-14H,1-2,9-10H2,(H,22,23);5-14H,3-4H2,1-2H3,(H,22,23);2-8,11-13H,1,9-10H2,(H,21,22);3-12H,1-2H3,(H,20,21);3-11H,1-2H3,(H,20,21);1-9H,(H,23,24);1-10H,(H,22,23);2-6,8,10,12,22H,7,9,11H2,1H3,(H,19,20);3-10H,1-2H3,(H,19,21);2-8H,9-10H2,1H3,(H,20,21).
What are the key properties of 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;4-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-[2-fluoro-4-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;[1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]azetidin-2-yl]methanol;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine?
3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;4-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-[2-fluoro-4-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;[1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]azetidin-2-yl]methanol;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 4030.85 g/mol, XLogP of 51.04, 42 rotatable bonds, 12 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(azetidin-1-ylsulfonyl)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-diethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;4-(3,3-difluoroazetidin-1-yl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(2,4-dimethoxyphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;N,N-dimethyl-2-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-[2-fluoro-4-(trifluoromethoxy)phenyl]-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;[1-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]azetidin-2-yl]methanol;3-(2-methoxy-3-pyridinyl)-4-(3-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;3-(3-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;3-(4-pyrrolidin-1-ylsulfonylphenyl)-4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridine;4-thiophen-3-yl-3-[2-(trifluoromethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 157355643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).