N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(4-fluoro-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)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol;3-(2-methoxyphenyl)-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]methyl]morpholine

C210H172Cl6F4N28O14S14 — CID 158690413

IUPACN-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(4-fluoro-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)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol;3-(2-methoxyphenyl)-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]methyl]morpholine
SMILESCCOc1ccccc1-c1c[nH]c2nccc(-c3csc(Cl)c3)c12.CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1.CN(C)S(=O)(=O)c1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1.CN(C)S(=O)(=O)c1ccccc1Nc1c[nH]c2nccc(-c3ccsc3)c12.COc1cc(F)ccc1-c1c[nH]c2nccc(-c3csc(Cl)c3)c12.COc1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c(OC)c1.COc1ccccc1-c1c[nH]c2nccc(-c3cc(C)cs3)c12.COc1ccccc1-c1c[nH]c2nccc(-c3ccc(CN4CCOCC4)s3)c12.Fc1cc(Cl)ccc1-c1c[nH]c2nccc(-c3csc(Cl)c3)c12.Fc1cccc(-c2c[nH]c3nccc(-c4csc(Cl)c4)c23)c1Cl.OCc1cc(F)ccc1Nc1c[nH]c2nccc(-c3ccsc3)c12
InChIInChI=1S/C23H23N3O2S.C22H23N3O2S2.C19H15ClN2OS.C19H18N4O2S2.C19H17N3O2S2.C19H16N2O2S.C19H16N2OS.C18H12ClFN2OS.C18H14FN3OS.2C17H9Cl2FN2S/c1-27-20-5-3-2-4-17(20)19-14-25-23-22(19)18(8-9-24-23)21-7-6-16(29-21)15-26-10-12-28-13-11-26;1-22(2,3)25(4)29(26,27)17-7-5-6-15(12-17)19-13-24-21-20(19)18(8-10-23-21)16-9-11-28-14-16;1-2-23-16-6-4-3-5-14(16)15-10-22-19-18(15)13(7-8-21-19)12-9-17(20)24-11-12;1-23(2)27(24,25)17-6-4-3-5-15(17)22-16-11-21-19-18(16)14(7-9-20-19)13-8-10-26-12-13;1-22(2)26(23,24)15-5-3-4-13(10-15)17-11-21-19-18(17)16(6-8-20-19)14-7-9-25-12-14;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;1-12-9-17(23-11-12)14-7-8-20-19-18(14)15(10-21-19)13-5-3-4-6-16(13)22-2;1-23-15-7-11(20)2-3-13(15)14-8-22-18-17(14)12(4-5-21-18)10-6-16(19)24-9-10;19-13-1-2-15(12(7-13)9-23)22-16-8-21-18-17(16)14(3-5-20-18)11-4-6-24-10-11;18-10-1-2-12(14(20)6-10)13-7-22-17-16(13)11(3-4-21-17)9-5-15(19)23-8-9;18-14-6-9(8-23-14)10-4-5-21-17-15(10)12(7-22-17)11-2-1-3-13(20)16(11)19/h2-9,14H,10-13,15H2,1H3,(H,24,25);5-14H,1-4H3,(H,23,24);3-11H,2H2,1H3,(H,21,22);3-12,22H,1-2H3,(H,20,21);3-12H,1-2H3,(H,20,21);3-11H,1-2H3,(H,20,21);3-11H,1-2H3,(H,20,21);2-9H,1H3,(H,21,22);1-8,10,22-23H,9H2,(H,20,21);2*1-8H,(H,21,22)
InChIKeyIGGUBTLTDWKHQR-UHFFFAOYSA-N
MW4049.52 g/mol
LogP58.17
Rot. Bonds40

About N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(4-fluoro-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)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol;3-(2-methoxyphenyl)-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]methyl]morpholine

N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(4-fluoro-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)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol;3-(2-methoxyphenyl)-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]methyl]morpholine (PubChem CID 158690413) has the molecular formula C210H172Cl6F4N28O14S14 and a molecular weight of 4049.52 g/mol. Its IUPAC name is N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(4-fluoro-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)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol;3-(2-methoxyphenyl)-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]methyl]morpholine.

Molecular Properties

Compound NameN-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(4-fluoro-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)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol;3-(2-methoxyphenyl)-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]methyl]morpholine
PubChem CID158690413
Molecular FormulaC210H172Cl6F4N28O14S14
Molecular Weight4049.52 g/mol
Exact Mass4042.78
IUPAC NameN-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(4-fluoro-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)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol;3-(2-methoxyphenyl)-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]methyl]morpholine
SMILESCCOc1ccccc1-c1c[nH]c2nccc(-c3csc(Cl)c3)c12.CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1.CN(C)S(=O)(=O)c1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1.CN(C)S(=O)(=O)c1ccccc1Nc1c[nH]c2nccc(-c3ccsc3)c12.COc1cc(F)ccc1-c1c[nH]c2nccc(-c3csc(Cl)c3)c12.COc1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c(OC)c1.COc1ccccc1-c1c[nH]c2nccc(-c3cc(C)cs3)c12.COc1ccccc1-c1c[nH]c2nccc(-c3ccc(CN4CCOCC4)s3)c12.Fc1cc(Cl)ccc1-c1c[nH]c2nccc(-c3csc(Cl)c3)c12.Fc1cccc(-c2c[nH]c3nccc(-c4csc(Cl)c4)c23)c1Cl.OCc1cc(F)ccc1Nc1c[nH]c2nccc(-c3ccsc3)c12
InChIInChI=1S/C23H23N3O2S.C22H23N3O2S2.C19H15ClN2OS.C19H18N4O2S2.C19H17N3O2S2.C19H16N2O2S.C19H16N2OS.C18H12ClFN2OS.C18H14FN3OS.2C17H9Cl2FN2S/c1-27-20-5-3-2-4-17(20)19-14-25-23-22(19)18(8-9-24-23)21-7-6-16(29-21)15-26-10-12-28-13-11-26;1-22(2,3)25(4)29(26,27)17-7-5-6-15(12-17)19-13-24-21-20(19)18(8-10-23-21)16-9-11-28-14-16;1-2-23-16-6-4-3-5-14(16)15-10-22-19-18(15)13(7-8-21-19)12-9-17(20)24-11-12;1-23(2)27(24,25)17-6-4-3-5-15(17)22-16-11-21-19-18(16)14(7-9-20-19)13-8-10-26-12-13;1-22(2)26(23,24)15-5-3-4-13(10-15)17-11-21-19-18(17)16(6-8-20-19)14-7-9-25-12-14;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;1-12-9-17(23-11-12)14-7-8-20-19-18(14)15(10-21-19)13-5-3-4-6-16(13)22-2;1-23-15-7-11(20)2-3-13(15)14-8-22-18-17(14)12(4-5-21-18)10-6-16(19)24-9-10;19-13-1-2-15(12(7-13)9-23)22-16-8-21-18-17(16)14(3-5-20-18)11-4-6-24-10-11;18-10-1-2-12(14(20)6-10)13-7-22-17-16(13)11(3-4-21-17)9-5-15(19)23-8-9;18-14-6-9(8-23-14)10-4-5-21-17-15(10)12(7-22-17)11-2-1-3-13(20)16(11)19/h2-9,14H,10-13,15H2,1H3,(H,24,25);5-14H,1-4H3,(H,23,24);3-11H,2H2,1H3,(H,21,22);3-12,22H,1-2H3,(H,20,21);3-12H,1-2H3,(H,20,21);3-11H,1-2H3,(H,20,21);3-11H,1-2H3,(H,20,21);2-9H,1H3,(H,21,22);1-8,10,22-23H,9H2,(H,20,21);2*1-8H,(H,21,22)
InChIKeyIGGUBTLTDWKHQR-UHFFFAOYSA-N
XLogP58.17
TPSA539.76 Ų
H-Bond Donors14
H-Bond Acceptors39
Rotatable Bonds40
Heavy Atoms276
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004049.52
LogP ≤ 558.17
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1039

Analyze N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(4-fluoro-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)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol;3-(2-methoxyphenyl)-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(4-fluoro-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)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol;3-(2-methoxyphenyl)-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]methyl]morpholine?
The IUPAC name of N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(4-fluoro-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)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol;3-(2-methoxyphenyl)-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]methyl]morpholine (CID 158690413) is N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(4-fluoro-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)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol;3-(2-methoxyphenyl)-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]methyl]morpholine.
What is the SMILES notation for N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(4-fluoro-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)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol;3-(2-methoxyphenyl)-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]methyl]morpholine?
The canonical SMILES for N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(4-fluoro-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)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol;3-(2-methoxyphenyl)-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]methyl]morpholine is CCOc1ccccc1-c1c[nH]c2nccc(-c3csc(Cl)c3)c12.CN(C(C)(C)C)S(=O)(=O)c1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1.CN(C)S(=O)(=O)c1cccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c1.CN(C)S(=O)(=O)c1ccccc1Nc1c[nH]c2nccc(-c3ccsc3)c12.COc1cc(F)ccc1-c1c[nH]c2nccc(-c3csc(Cl)c3)c12.COc1ccc(-c2c[nH]c3nccc(-c4ccsc4)c23)c(OC)c1.COc1ccccc1-c1c[nH]c2nccc(-c3cc(C)cs3)c12.COc1ccccc1-c1c[nH]c2nccc(-c3ccc(CN4CCOCC4)s3)c12.Fc1cc(Cl)ccc1-c1c[nH]c2nccc(-c3csc(Cl)c3)c12.Fc1cccc(-c2c[nH]c3nccc(-c4csc(Cl)c4)c23)c1Cl.OCc1cc(F)ccc1Nc1c[nH]c2nccc(-c3ccsc3)c12.
What is the InChIKey of N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(4-fluoro-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)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol;3-(2-methoxyphenyl)-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]methyl]morpholine?
The InChIKey is IGGUBTLTDWKHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2S.C22H23N3O2S2.C19H15ClN2OS.C19H18N4O2S2.C19H17N3O2S2.C19H16N2O2S.C19H16N2OS.C18H12ClFN2OS.C18H14FN3OS.2C17H9Cl2FN2S/c1-27-20-5-3-2-4-17(20)19-14-25-23-22(19)18(8-9-24-23)21-7-6-16(29-21)15-26-10-12-28-13-11-26;1-22(2,3)25(4)29(26,27)17-7-5-6-15(12-17)19-13-24-21-20(19)18(8-10-23-21)16-9-11-28-14-16;1-2-23-16-6-4-3-5-14(16)15-10-22-19-18(15)13(7-8-21-19)12-9-17(20)24-11-12;1-23(2)27(24,25)17-6-4-3-5-15(17)22-16-11-21-19-18(16)14(7-9-20-19)13-8-10-26-12-13;1-22(2)26(23,24)15-5-3-4-13(10-15)17-11-21-19-18(17)16(6-8-20-19)14-7-9-25-12-14;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;1-12-9-17(23-11-12)14-7-8-20-19-18(14)15(10-21-19)13-5-3-4-6-16(13)22-2;1-23-15-7-11(20)2-3-13(15)14-8-22-18-17(14)12(4-5-21-18)10-6-16(19)24-9-10;19-13-1-2-15(12(7-13)9-23)22-16-8-21-18-17(16)14(3-5-20-18)11-4-6-24-10-11;18-10-1-2-12(14(20)6-10)13-7-22-17-16(13)11(3-4-21-17)9-5-15(19)23-8-9;18-14-6-9(8-23-14)10-4-5-21-17-15(10)12(7-22-17)11-2-1-3-13(20)16(11)19/h2-9,14H,10-13,15H2,1H3,(H,24,25);5-14H,1-4H3,(H,23,24);3-11H,2H2,1H3,(H,21,22);3-12,22H,1-2H3,(H,20,21);3-12H,1-2H3,(H,20,21);3-11H,1-2H3,(H,20,21);3-11H,1-2H3,(H,20,21);2-9H,1H3,(H,21,22);1-8,10,22-23H,9H2,(H,20,21);2*1-8H,(H,21,22).
What are the key properties of N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(4-fluoro-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)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol;3-(2-methoxyphenyl)-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]methyl]morpholine?
N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(4-fluoro-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)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol;3-(2-methoxyphenyl)-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]methyl]morpholine has a molecular weight of 4049.52 g/mol, XLogP of 58.17, 40 rotatable bonds, 14 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-methyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;3-(2-chloro-3-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;3-(4-chloro-2-fluorophenyl)-4-(5-chlorothiophen-3-yl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(2-ethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-(5-chlorothiophen-3-yl)-3-(4-fluoro-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)amino]benzenesulfonamide;N,N-dimethyl-3-(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)benzenesulfonamide;[5-fluoro-2-[(4-thiophen-3-yl-1H-pyrrolo[2,3-b]pyridin-3-yl)amino]phenyl]methanol;3-(2-methoxyphenyl)-4-(4-methylthiophen-2-yl)-1H-pyrrolo[2,3-b]pyridine;4-[[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]thiophen-2-yl]methyl]morpholine is sourced from PubChem (CID 158690413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).