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;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(1H-indol-2-yl)-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;1-[2-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one

C142H129FN22O12S2 — CID 158116429

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;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(1H-indol-2-yl)-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;1-[2-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one

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;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(1H-indol-2-yl)-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;1-[2-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one (PubChem CID 158116429) has the molecular formula C142H129FN22O12S2 and a molecular weight of 2418.87 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;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(1H-indol-2-yl)-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;1-[2-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one.

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;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(1H-indol-2-yl)-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;1-[2-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one
• PubChem CID: 158116429
• Molecular Formula: C142H129FN22O12S2
• Molecular Weight: 2418.87 g/mol
• Exact Mass: 2416.96
• 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;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(1H-indol-2-yl)-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;1-[2-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one
• SMILES: C=CC(=O)N1CCCC1C(=O)Cc1cnc2[nH]cc(C)c2c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccc(C)cc5[nH]4)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccccc5[nH]4)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.C24H18N4O.C23H18FN3O2.C17H19N3O2/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;1-2-23(29)27-18-8-5-7-15(10-18)17-11-19-20(14-26-24(19)25-13-17)22-12-16-6-3-4-9-21(16)28-22;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;1-3-16(22)20-6-4-5-14(20)15(21)8-12-7-13-11(2)9-18-17(13)19-10-12/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);2-14,28H,1H2,(H,25,26)(H,27,29);3-13H,1H2,2H3,(H,25,26)(H,27,28);3,7,9-10,14H,1,4-6,8H2,2H3,(H,18,19)
• InChIKey: FRBIDWQTSXNVMV-UHFFFAOYSA-N
• XLogP: 29.14
• TPSA: 470.53 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 18
• Rotatable Bonds: 31
• Heavy Atoms: 179
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2418.87
LogP ≤ 5	29.14
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	18

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;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(1H-indol-2-yl)-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;1-[2-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one?

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;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(1H-indol-2-yl)-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;1-[2-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one (CID 158116429) 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;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(1H-indol-2-yl)-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;1-[2-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one.

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;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(1H-indol-2-yl)-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;1-[2-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one?

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;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(1H-indol-2-yl)-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;1-[2-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one is C=CC(=O)N1CCCC1C(=O)Cc1cnc2[nH]cc(C)c2c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccc(C)cc5[nH]4)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc5ccccc5[nH]4)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;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(1H-indol-2-yl)-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;1-[2-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one?

The InChIKey is FRBIDWQTSXNVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O3S.C26H26N4O3S.C25H20N4O.C24H18N4O.C23H18FN3O2.C17H19N3O2/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;1-2-23(29)27-18-8-5-7-15(10-18)17-11-19-20(14-26-24(19)25-13-17)22-12-16-6-3-4-9-21(16)28-22;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;1-3-16(22)20-6-4-5-14(20)15(21)8-12-7-13-11(2)9-18-17(13)19-10-12/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);2-14,28H,1H2,(H,25,26)(H,27,29);3-13H,1H2,2H3,(H,25,26)(H,27,28);3,7,9-10,14H,1,4-6,8H2,2H3,(H,18,19).

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;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(1H-indol-2-yl)-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;1-[2-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one?

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;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(1H-indol-2-yl)-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;1-[2-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one has a molecular weight of 2418.87 g/mol, XLogP of 29.14, 31 rotatable bonds, 13 hydrogen bond donors, and 18 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;N-[3-[3-(3-fluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(1H-indol-2-yl)-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;1-[2-[2-(3-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)acetyl]pyrrolidin-1-yl]prop-2-en-1-one is sourced from PubChem (CID 158116429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).