N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;bis(N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide)

C144H129F2N23O12 — CID 159248570

About N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;bis(N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide)

N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;bis(N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide) (PubChem CID 159248570) has the molecular formula C144H129F2N23O12 and a molecular weight of 2411.76 g/mol. Its IUPAC name is N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;bis(N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide).

Molecular Properties

• Compound Name: N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;bis(N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide)
• PubChem CID: 159248570
• Molecular Formula: C144H129F2N23O12
• Molecular Weight: 2411.76 g/mol
• Exact Mass: 2410.02
• IUPAC Name: N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;bis(N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide)
• SMILES: C=CC(=O)N(C)c1cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)cc(OC)c1F.C=CC(=O)N(C)c1cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)ccc1F.C=CC(=O)N(C)c1cc(OC)cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)c1.C=CC(=O)N(C)c1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)c1.C=CC(=O)N(C)c1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)c1.C=CC(=O)N(C)c1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(OC)c4)c3c2)c1
• InChI: InChI=1S/C25H23N3O2.C24H21FN4O2.C24H22N4O3.2C24H22N4O2.C23H19FN4O/c1-5-24(29)28(3)20-10-18(11-21(13-20)30-4)19-12-22-23(15-27-25(22)26-14-19)17-8-6-7-16(2)9-17;1-5-22(30)29(3)20-10-16(11-21(31-4)23(20)25)17-9-18-19(13-28-24(18)27-12-17)15-6-7-26-14(2)8-15;1-5-23(29)28(2)18-8-16(9-19(12-18)30-3)17-10-20-21(14-27-24(20)26-13-17)15-6-7-25-22(11-15)31-4;2*1-5-23(29)28(3)19-9-17(10-20(12-19)30-4)18-11-21-22(14-27-24(21)26-13-18)16-6-7-25-15(2)8-16;1-4-22(29)28(3)21-11-15(5-6-20(21)24)17-10-18-19(13-27-23(18)26-12-17)16-7-8-25-14(2)9-16/h5-15H,1H2,2-4H3,(H,26,27);5-13H,1H2,2-4H3,(H,27,28);5-14H,1H2,2-4H3,(H,26,27);2*5-14H,1H2,2-4H3,(H,26,27);4-13H,1H2,2-3H3,(H,26,27)
• InChIKey: KUZJPWVCJCQCLT-UHFFFAOYSA-N
• XLogP: 29.12
• TPSA: 413.77 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 23
• Rotatable Bonds: 30
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2411.76
LogP ≤ 5	29.12
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;bis(N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide)?

The IUPAC name of N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;bis(N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide) (CID 159248570) is N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;bis(N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide).

What is the SMILES notation for N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;bis(N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide)?

The canonical SMILES for N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;bis(N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide) is C=CC(=O)N(C)c1cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)cc(OC)c1F.C=CC(=O)N(C)c1cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)ccc1F.C=CC(=O)N(C)c1cc(OC)cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)c1.C=CC(=O)N(C)c1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)c1.C=CC(=O)N(C)c1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)c1.C=CC(=O)N(C)c1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(OC)c4)c3c2)c1.

What is the InChIKey of N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;bis(N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide)?

The InChIKey is KUZJPWVCJCQCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2.C24H21FN4O2.C24H22N4O3.2C24H22N4O2.C23H19FN4O/c1-5-24(29)28(3)20-10-18(11-21(13-20)30-4)19-12-22-23(15-27-25(22)26-14-19)17-8-6-7-16(2)9-17;1-5-22(30)29(3)20-10-16(11-21(31-4)23(20)25)17-9-18-19(13-28-24(18)27-12-17)15-6-7-26-14(2)8-15;1-5-23(29)28(2)18-8-16(9-19(12-18)30-3)17-10-20-21(14-27-24(20)26-13-17)15-6-7-25-22(11-15)31-4;2*1-5-23(29)28(3)19-9-17(10-20(12-19)30-4)18-11-21-22(14-27-24(21)26-13-18)16-6-7-25-15(2)8-16;1-4-22(29)28(3)21-11-15(5-6-20(21)24)17-10-18-19(13-27-23(18)26-12-17)16-7-8-25-14(2)9-16/h5-15H,1H2,2-4H3,(H,26,27);5-13H,1H2,2-4H3,(H,27,28);5-14H,1H2,2-4H3,(H,26,27);2*5-14H,1H2,2-4H3,(H,26,27);4-13H,1H2,2-3H3,(H,26,27).

What are the key properties of N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;bis(N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide)?

N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;bis(N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide) has a molecular weight of 2411.76 g/mol, XLogP of 29.12, 30 rotatable bonds, 6 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;bis(N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide) is sourced from PubChem (CID 159248570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).