N-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluorophenyl]prop-2-enamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]pent-2-ynamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-ynamide;N-[3-[3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-ethylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide

C142H112F7N19O15S3 — CID 159441405

About N-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluorophenyl]prop-2-enamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]pent-2-ynamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-ynamide;N-[3-[3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-ethylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide

N-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluorophenyl]prop-2-enamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]pent-2-ynamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-ynamide;N-[3-[3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-ethylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide (PubChem CID 159441405) has the molecular formula C142H112F7N19O15S3 and a molecular weight of 2553.76 g/mol. Its IUPAC name is N-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluorophenyl]prop-2-enamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]pent-2-ynamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-ynamide;N-[3-[3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-ethylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluorophenyl]prop-2-enamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]pent-2-ynamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-ynamide;N-[3-[3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-ethylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
• PubChem CID: 159441405
• Molecular Formula: C142H112F7N19O15S3
• Molecular Weight: 2553.76 g/mol
• Exact Mass: 2551.76
• IUPAC Name: N-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluorophenyl]prop-2-enamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]pent-2-ynamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-ynamide;N-[3-[3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-ethylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
• SMILES: C#CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc(F)cc(F)c4OC)c3c2)c1.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cc(F)cc(F)c4OC)c3c2)ccc1F.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(S(=O)(=O)CC)c4)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(S(=O)(=O)N(C)C)c4)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(S(C)(=O)=O)c4)c3c2)c1.CCC#CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc(F)cc(F)c4OC)c3c2)c1
• InChI: InChI=1S/C25H19F2N3O2.C24H22N4O3S.C24H21N3O3S.C23H16F3N3O2.C23H15F2N3O2.C23H19N3O3S/c1-3-4-8-23(31)30-18-7-5-6-15(9-18)16-10-20-21(14-29-25(20)28-13-16)19-11-17(26)12-22(27)24(19)32-2;1-4-23(29)27-19-9-5-7-16(11-19)18-13-21-22(15-26-24(21)25-14-18)17-8-6-10-20(12-17)32(30,31)28(2)3;1-3-23(28)27-19-9-5-7-16(11-19)18-13-21-22(15-26-24(21)25-14-18)17-8-6-10-20(12-17)31(29,30)4-2;1-3-21(30)29-20-7-12(4-5-18(20)25)13-6-16-17(11-28-23(16)27-10-13)15-8-14(24)9-19(26)22(15)31-2;1-3-21(29)28-16-6-4-5-13(7-16)14-8-18-19(12-27-23(18)26-11-14)17-9-15(24)10-20(25)22(17)30-2;1-3-22(27)26-18-8-4-6-15(10-18)17-12-20-21(14-25-23(20)24-13-17)16-7-5-9-19(11-16)30(2,28)29/h5-7,9-14H,3H2,1-2H3,(H,28,29)(H,30,31);4-15H,1H2,2-3H3,(H,25,26)(H,27,29);3,5-15H,1,4H2,2H3,(H,25,26)(H,27,28);3-11H,1H2,2H3,(H,27,28)(H,29,30);1,4-12H,2H3,(H,26,27)(H,28,29);3-14H,1H2,2H3,(H,24,25)(H,26,27)
• InChIKey: LSFKMYWPRJXCFG-UHFFFAOYSA-N
• XLogP: 29.25
• TPSA: 480.03 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 21
• Rotatable Bonds: 30
• Heavy Atoms: 186
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2553.76
LogP ≤ 5	29.25
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluorophenyl]prop-2-enamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]pent-2-ynamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-ynamide;N-[3-[3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-ethylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide?

The IUPAC name of N-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluorophenyl]prop-2-enamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]pent-2-ynamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-ynamide;N-[3-[3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-ethylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide (CID 159441405) is N-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluorophenyl]prop-2-enamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]pent-2-ynamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-ynamide;N-[3-[3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-ethylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide.

What is the SMILES notation for N-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluorophenyl]prop-2-enamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]pent-2-ynamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-ynamide;N-[3-[3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-ethylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide?

The canonical SMILES for N-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluorophenyl]prop-2-enamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]pent-2-ynamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-ynamide;N-[3-[3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-ethylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide is C#CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc(F)cc(F)c4OC)c3c2)c1.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cc(F)cc(F)c4OC)c3c2)ccc1F.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(S(=O)(=O)CC)c4)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(S(=O)(=O)N(C)C)c4)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cccc(S(C)(=O)=O)c4)c3c2)c1.CCC#CC(=O)Nc1cccc(-c2cnc3[nH]cc(-c4cc(F)cc(F)c4OC)c3c2)c1.

What is the InChIKey of N-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluorophenyl]prop-2-enamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]pent-2-ynamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-ynamide;N-[3-[3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-ethylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide?

The InChIKey is LSFKMYWPRJXCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F2N3O2.C24H22N4O3S.C24H21N3O3S.C23H16F3N3O2.C23H15F2N3O2.C23H19N3O3S/c1-3-4-8-23(31)30-18-7-5-6-15(9-18)16-10-20-21(14-29-25(20)28-13-16)19-11-17(26)12-22(27)24(19)32-2;1-4-23(29)27-19-9-5-7-16(11-19)18-13-21-22(15-26-24(21)25-14-18)17-8-6-10-20(12-17)32(30,31)28(2)3;1-3-23(28)27-19-9-5-7-16(11-19)18-13-21-22(15-26-24(21)25-14-18)17-8-6-10-20(12-17)31(29,30)4-2;1-3-21(30)29-20-7-12(4-5-18(20)25)13-6-16-17(11-28-23(16)27-10-13)15-8-14(24)9-19(26)22(15)31-2;1-3-21(29)28-16-6-4-5-13(7-16)14-8-18-19(12-27-23(18)26-11-14)17-9-15(24)10-20(25)22(17)30-2;1-3-22(27)26-18-8-4-6-15(10-18)17-12-20-21(14-25-23(20)24-13-17)16-7-5-9-19(11-16)30(2,28)29/h5-7,9-14H,3H2,1-2H3,(H,28,29)(H,30,31);4-15H,1H2,2-3H3,(H,25,26)(H,27,29);3,5-15H,1,4H2,2H3,(H,25,26)(H,27,28);3-11H,1H2,2H3,(H,27,28)(H,29,30);1,4-12H,2H3,(H,26,27)(H,28,29);3-14H,1H2,2H3,(H,24,25)(H,26,27).

What are the key properties of N-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluorophenyl]prop-2-enamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]pent-2-ynamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-ynamide;N-[3-[3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-ethylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide?

N-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluorophenyl]prop-2-enamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]pent-2-ynamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-ynamide;N-[3-[3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-ethylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide has a molecular weight of 2553.76 g/mol, XLogP of 29.25, 30 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-fluorophenyl]prop-2-enamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]pent-2-ynamide;N-[3-[3-(3,5-difluoro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-ynamide;N-[3-[3-[3-(dimethylsulfamoyl)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-ethylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(3-methylsulfonylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 159441405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).