N-[3-[3-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;ethyl 3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoate;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(6-methyl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide

C149H131FN22O14S2 — CID 159525009

About N-[3-[3-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;ethyl 3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoate;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(6-methyl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide

N-[3-[3-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;ethyl 3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoate;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(6-methyl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide (PubChem CID 159525009) has the molecular formula C149H131FN22O14S2 and a molecular weight of 2536.96 g/mol. Its IUPAC name is N-[3-[3-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;ethyl 3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoate;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(6-methyl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide.

Molecular Properties

• Compound Name: N-[3-[3-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;ethyl 3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoate;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(6-methyl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
• PubChem CID: 159525009
• Molecular Formula: C149H131FN22O14S2
• Molecular Weight: 2536.96 g/mol
• Exact Mass: 2534.96
• IUPAC Name: N-[3-[3-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;ethyl 3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoate;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(6-methyl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide
• SMILES: C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccc(C)cc5[nH]4)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(C(=O)OCC)c4)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(C(N)=O)c4)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(F)c4OC)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(S(=O)(=O)N(C)C(C)(C)C)c4)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(S(=O)(=O)N(CC)CC)c4)c3c2)c1
• InChI: InChI=1S/C27H28N4O3S.C26H26N4O3S.C25H20N4O.C25H21N3O3.C23H18FN3O2.C23H18N4O2/c1-6-25(32)30-21-11-7-9-18(13-21)20-15-23-24(17-29-26(23)28-16-20)19-10-8-12-22(14-19)35(33,34)31(5)27(2,3)4;1-4-25(31)29-21-11-7-9-18(13-21)20-15-23-24(17-28-26(23)27-16-20)19-10-8-12-22(14-19)34(32,33)30(5-2)6-3;1-3-24(30)28-19-6-4-5-16(10-19)18-11-20-21(14-27-25(20)26-13-18)23-12-17-8-7-15(2)9-22(17)29-23;1-3-23(29)28-20-10-6-7-16(12-20)19-13-21-22(15-27-24(21)26-14-19)17-8-5-9-18(11-17)25(30)31-4-2;1-3-21(28)27-16-7-4-6-14(10-16)15-11-18-19(13-26-23(18)25-12-15)17-8-5-9-20(24)22(17)29-2;1-2-21(28)27-18-8-4-5-14(10-18)17-11-19-20(13-26-23(19)25-12-17)15-6-3-7-16(9-15)22(24)29/h6-17H,1H2,2-5H3,(H,28,29)(H,30,32);4,7-17H,1,5-6H2,2-3H3,(H,27,28)(H,29,31);3-14,29H,1H2,2H3,(H,26,27)(H,28,30);3,5-15H,1,4H2,2H3,(H,26,27)(H,28,29);3-13H,1H2,2H3,(H,25,26)(H,27,28);2-13H,1H2,(H2,24,29)(H,25,26)(H,27,28)
• InChIKey: MCGWHZLRUUHAKR-UHFFFAOYSA-N
• XLogP: 30.79
• TPSA: 515.85 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 20
• Rotatable Bonds: 34
• Heavy Atoms: 188
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2536.96
LogP ≤ 5	30.79
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;ethyl 3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoate;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(6-methyl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?

The IUPAC name of N-[3-[3-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;ethyl 3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoate;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(6-methyl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide (CID 159525009) is N-[3-[3-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;ethyl 3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoate;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(6-methyl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide.

What is the SMILES notation for N-[3-[3-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;ethyl 3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoate;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(6-methyl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?

The canonical SMILES for N-[3-[3-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;ethyl 3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoate;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(6-methyl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide is C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccc(C)cc5[nH]4)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(C(=O)OCC)c4)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(C(N)=O)c4)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(F)c4OC)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(S(=O)(=O)N(C)C(C)(C)C)c4)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(S(=O)(=O)N(CC)CC)c4)c3c2)c1.

What is the InChIKey of N-[3-[3-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;ethyl 3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoate;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(6-methyl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?

The InChIKey is MCGWHZLRUUHAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S.C26H26N4O3S.C25H20N4O.C25H21N3O3.C23H18FN3O2.C23H18N4O2/c1-6-25(32)30-21-11-7-9-18(13-21)20-15-23-24(17-29-26(23)28-16-20)19-10-8-12-22(14-19)35(33,34)31(5)27(2,3)4;1-4-25(31)29-21-11-7-9-18(13-21)20-15-23-24(17-28-26(23)27-16-20)19-10-8-12-22(14-19)34(32,33)30(5-2)6-3;1-3-24(30)28-19-6-4-5-16(10-19)18-11-20-21(14-27-25(20)26-13-18)23-12-17-8-7-15(2)9-22(17)29-23;1-3-23(29)28-20-10-6-7-16(12-20)19-13-21-22(15-27-24(21)26-14-19)17-8-5-9-18(11-17)25(30)31-4-2;1-3-21(28)27-16-7-4-6-14(10-16)15-11-18-19(13-26-23(18)25-12-15)17-8-5-9-20(24)22(17)29-2;1-2-21(28)27-18-8-4-5-14(10-18)17-11-19-20(13-26-23(19)25-12-17)15-6-3-7-16(9-15)22(24)29/h6-17H,1H2,2-5H3,(H,28,29)(H,30,32);4,7-17H,1,5-6H2,2-3H3,(H,27,28)(H,29,31);3-14,29H,1H2,2H3,(H,26,27)(H,28,30);3,5-15H,1,4H2,2H3,(H,26,27)(H,28,29);3-13H,1H2,2H3,(H,25,26)(H,27,28);2-13H,1H2,(H2,24,29)(H,25,26)(H,27,28).

What are the key properties of N-[3-[3-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;ethyl 3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoate;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(6-methyl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide?

N-[3-[3-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;ethyl 3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoate;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(6-methyl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide has a molecular weight of 2536.96 g/mol, XLogP of 30.79, 34 rotatable bonds, 14 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-[3-[tert-butyl(methyl)sulfamoyl]phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-[3-(diethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;ethyl 3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzoate;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(6-methyl-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;3-[5-[3-(prop-2-enoylamino)phenyl]-1H-pyrrolo[2,3-b]pyridin-3-yl]benzamide is sourced from PubChem (CID 159525009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).