(E)-4-(dimethylamino)-N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methyl-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[1-methyl-3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide

C126H119F4N21O7 — CID 159500243

About (E)-4-(dimethylamino)-N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methyl-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[1-methyl-3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide

(E)-4-(dimethylamino)-N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methyl-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[1-methyl-3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide (PubChem CID 159500243) has the molecular formula C126H119F4N21O7 and a molecular weight of 2115.47 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methyl-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[1-methyl-3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-4-(dimethylamino)-N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methyl-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[1-methyl-3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
• PubChem CID: 159500243
• Molecular Formula: C126H119F4N21O7
• Molecular Weight: 2115.47 g/mol
• Exact Mass: 2113.95
• IUPAC Name: (E)-4-(dimethylamino)-N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methyl-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[1-methyl-3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(F)cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)c1.C=CC(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2C)c1.COc1cc(-c2c[nH]c3ncc(-c4cncc(NC(=O)/C=C/CN(C)C)c4)cc23)ccn1.Cc1cc(NC(=O)/C=C/CN(C)C)cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)c1.Cc1cccc(-c2cn(C)c3ncc(-c4cc(NC(=O)/C=C/CN(C)C)cc(C(F)(F)F)c4)cc23)c1
• InChI: InChI=1S/C28H27F3N4O.C27H28N4O.C24H24N6O2.C24H22N4O2.C23H18FN3O/c1-18-7-5-8-19(11-18)25-17-35(4)27-24(25)14-21(16-32-27)20-12-22(28(29,30)31)15-23(13-20)33-26(36)9-6-10-34(2)3;1-18-7-5-8-20(11-18)25-17-29-27-24(25)15-22(16-28-27)21-12-19(2)13-23(14-21)30-26(32)9-6-10-31(3)4;1-30(2)8-4-5-22(31)29-19-9-17(12-25-14-19)18-10-20-21(15-28-24(20)27-13-18)16-6-7-26-23(11-16)32-3;1-5-22(29)28-18-9-17(10-19(11-18)30-4)20-12-26-24-23(15(20)3)21(13-27-24)16-6-7-25-14(2)8-16;1-3-22(28)27-19-9-16(8-18(24)11-19)17-10-20-21(13-26-23(20)25-12-17)15-6-4-5-14(2)7-15/h5-9,11-17H,10H2,1-4H3,(H,33,36);5-9,11-17H,10H2,1-4H3,(H,28,29)(H,30,32);4-7,9-15H,8H2,1-3H3,(H,27,28)(H,29,31);5-13H,1H2,2-4H3,(H,26,27)(H,28,29);3-13H,1H2,2H3,(H,25,26)(H,27,28)/b2*9-6+;5-4+
• InChIKey: LZHHBCYXBUIGDV-OLQVFVDGSA-N
• XLogP: 26.12
• TPSA: 344.89 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 19
• Rotatable Bonds: 28
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2115.47
LogP ≤ 5	26.12
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of (E)-4-(dimethylamino)-N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methyl-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[1-methyl-3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide (CID 159500243) is (E)-4-(dimethylamino)-N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methyl-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[1-methyl-3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide.

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

The canonical SMILES for (E)-4-(dimethylamino)-N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methyl-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[1-methyl-3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide is C=CC(=O)Nc1cc(F)cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)c1.C=CC(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2C)c1.COc1cc(-c2c[nH]c3ncc(-c4cncc(NC(=O)/C=C/CN(C)C)c4)cc23)ccn1.Cc1cc(NC(=O)/C=C/CN(C)C)cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)c1.Cc1cccc(-c2cn(C)c3ncc(-c4cc(NC(=O)/C=C/CN(C)C)cc(C(F)(F)F)c4)cc23)c1.

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

The InChIKey is LZHHBCYXBUIGDV-OLQVFVDGSA-N. The full InChI is InChI=1S/C28H27F3N4O.C27H28N4O.C24H24N6O2.C24H22N4O2.C23H18FN3O/c1-18-7-5-8-19(11-18)25-17-35(4)27-24(25)14-21(16-32-27)20-12-22(28(29,30)31)15-23(13-20)33-26(36)9-6-10-34(2)3;1-18-7-5-8-20(11-18)25-17-29-27-24(25)15-22(16-28-27)21-12-19(2)13-23(14-21)30-26(32)9-6-10-31(3)4;1-30(2)8-4-5-22(31)29-19-9-17(12-25-14-19)18-10-20-21(15-28-24(20)27-13-18)16-6-7-26-23(11-16)32-3;1-5-22(29)28-18-9-17(10-19(11-18)30-4)20-12-26-24-23(15(20)3)21(13-27-24)16-6-7-25-14(2)8-16;1-3-22(28)27-19-9-16(8-18(24)11-19)17-10-20-21(13-26-23(20)25-12-17)15-6-4-5-14(2)7-15/h5-9,11-17H,10H2,1-4H3,(H,33,36);5-9,11-17H,10H2,1-4H3,(H,28,29)(H,30,32);4-7,9-15H,8H2,1-3H3,(H,27,28)(H,29,31);5-13H,1H2,2-4H3,(H,26,27)(H,28,29);3-13H,1H2,2H3,(H,25,26)(H,27,28)/b2*9-6+;5-4+;;.

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

(E)-4-(dimethylamino)-N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methyl-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[1-methyl-3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide has a molecular weight of 2115.47 g/mol, XLogP of 26.12, 28 rotatable bonds, 9 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-4-(dimethylamino)-N-[5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methyl-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[1-methyl-3-(3-methylphenyl)pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;N-[3-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 159500243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).