(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-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide

C145H118F13N21O8 — CID 158539261

About (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-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-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-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 158539261) has the molecular formula C145H118F13N21O8 and a molecular weight of 2529.65 g/mol. Its IUPAC name is (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-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (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-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide
• PubChem CID: 158539261
• Molecular Formula: C145H118F13N21O8
• Molecular Weight: 2529.65 g/mol
• Exact Mass: 2527.93
• IUPAC Name: (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-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide
• SMILES: C=CC(=O)N(C)c1cc(OC)cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)c1.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4ccc(OC)nc4)c3c2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(F)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.C25H23N3O2.C24H18F3N3O.C23H17F3N4O2.C23H18FN3O.C22H15F3N4O/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;1-5-24(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;1-3-22(31)30-19-9-16(8-18(11-19)24(25,26)27)17-10-20-21(13-29-23(20)28-12-17)15-6-4-5-14(2)7-15;1-3-20(31)30-17-7-14(6-16(9-17)23(24,25)26)15-8-18-19(12-29-22(18)28-11-15)13-4-5-21(32-2)27-10-13;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;1-2-20(30)29-17-7-14(6-16(9-17)22(23,24)25)15-8-18-19(12-28-21(18)27-11-15)13-4-3-5-26-10-13/h5-9,11-17H,10H2,1-4H3,(H,33,36);5-15H,1H2,2-4H3,(H,26,27);3-13H,1H2,2H3,(H,28,29)(H,30,31);3-12H,1H2,2H3,(H,28,29)(H,30,31);3-13H,1H2,2H3,(H,25,26)(H,27,28);2-12H,1H2,(H,27,28)(H,29,30)/b9-6+
• InChIKey: HOHYADBUWFKDOE-QLQIYBSXSA-N
• XLogP: 34.35
• TPSA: 374.51 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 18
• Rotatable Bonds: 28
• Heavy Atoms: 187
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2529.65
LogP ≤ 5	34.35
H-Bond Donors ≤ 5	10
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 (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-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide?

The IUPAC name of (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-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide (CID 158539261) is (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-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide.

What is the SMILES notation for (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-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide?

The canonical SMILES for (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-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide is C=CC(=O)N(C)c1cc(OC)cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)c1.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4ccc(OC)nc4)c3c2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cccnc4)c3c2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(F)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-[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-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide?

The InChIKey is HOHYADBUWFKDOE-QLQIYBSXSA-N. The full InChI is InChI=1S/C28H27F3N4O.C25H23N3O2.C24H18F3N3O.C23H17F3N4O2.C23H18FN3O.C22H15F3N4O/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;1-5-24(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;1-3-22(31)30-19-9-16(8-18(11-19)24(25,26)27)17-10-20-21(13-29-23(20)28-12-17)15-6-4-5-14(2)7-15;1-3-20(31)30-17-7-14(6-16(9-17)23(24,25)26)15-8-18-19(12-29-22(18)28-11-15)13-4-5-21(32-2)27-10-13;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;1-2-20(30)29-17-7-14(6-16(9-17)22(23,24)25)15-8-18-19(12-28-21(18)27-11-15)13-4-3-5-26-10-13/h5-9,11-17H,10H2,1-4H3,(H,33,36);5-15H,1H2,2-4H3,(H,26,27);3-13H,1H2,2H3,(H,28,29)(H,30,31);3-12H,1H2,2H3,(H,28,29)(H,30,31);3-13H,1H2,2H3,(H,25,26)(H,27,28);2-12H,1H2,(H,27,28)(H,29,30)/b9-6+;;;;;.

What are the key properties of (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-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-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-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 2529.65 g/mol, XLogP of 34.35, 28 rotatable bonds, 10 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for (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-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 158539261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).