(E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide

C139H115Cl7F3N27O9 — CID 157323554

About (E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide

(E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide (PubChem CID 157323554) has the molecular formula C139H115Cl7F3N27O9 and a molecular weight of 2612.79 g/mol. Its IUPAC name is (E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide
• PubChem CID: 157323554
• Molecular Formula: C139H115Cl7F3N27O9
• Molecular Weight: 2612.79 g/mol
• Exact Mass: 2607.71
• IUPAC Name: (E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(-c2cnc3[nH]cc(Cl)c3c2)ccc1Cl.C=CC(=O)Nc1cc(-c2cnc3[nH]ccc3c2)ccc1F.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(Cl)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(N4CC(F)(F)C4)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(N4CCC4OC)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]ccc3c2)c1.CC/C=C/C(=O)Nc1cc(-c2cnc3[nH]cc(Cl)c3c2)ccc1Cl.CN(C)/C=C/C(=O)Nc1cc(-c2cnc3[nH]cc(Cl)c3c2)ccc1Cl
• InChI: InChI=1S/C20H20N4O2.C19H16F2N4O.C18H16Cl2N4O.C18H15Cl2N3O.C16H11Cl2N3O.C16H12ClN3O.C16H12FN3O.C16H13N3O/c1-3-18(25)23-15-6-4-5-13(9-15)14-10-16-17(12-22-20(16)21-11-14)24-8-7-19(24)26-2;1-2-17(26)24-14-5-3-4-12(6-14)13-7-15-16(9-23-18(15)22-8-13)25-10-19(20,21)11-25;1-24(2)6-5-17(25)23-16-8-11(3-4-14(16)19)12-7-13-15(20)10-22-18(13)21-9-12;1-2-3-4-17(24)23-16-8-11(5-6-14(16)19)12-7-13-15(20)10-22-18(13)21-9-12;1-2-15(22)21-14-6-9(3-4-12(14)17)10-5-11-13(18)8-20-16(11)19-7-10;1-2-15(21)20-12-5-3-4-10(6-12)11-7-13-14(17)9-19-16(13)18-8-11;1-2-15(21)20-14-8-10(3-4-13(14)17)12-7-11-5-6-18-16(11)19-9-12;1-2-15(20)19-14-5-3-4-11(9-14)13-8-12-6-7-17-16(12)18-10-13/h3-6,9-12,19H,1,7-8H2,2H3,(H,21,22)(H,23,25);2-9H,1,10-11H2,(H,22,23)(H,24,26);3-10H,1-2H3,(H,21,22)(H,23,25);3-10H,2H2,1H3,(H,21,22)(H,23,24);2-8H,1H2,(H,19,20)(H,21,22);2*2-9H,1H2,(H,18,19)(H,20,21);2-10H,1H2,(H,17,18)(H,19,20)/b;;6-5+;4-3+
• InChIKey: BELLHOSXJIJAQF-JTEPHJHHSA-N
• XLogP: 32.86
• TPSA: 481.19 Ų
• H-Bond Donors: 16
• H-Bond Acceptors: 20
• Rotatable Bonds: 29
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2612.79
LogP ≤ 5	32.86
H-Bond Donors ≤ 5	16
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide?

The IUPAC name of (E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide (CID 157323554) is (E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide.

What is the SMILES notation for (E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide?

The canonical SMILES for (E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide is C=CC(=O)Nc1cc(-c2cnc3[nH]cc(Cl)c3c2)ccc1Cl.C=CC(=O)Nc1cc(-c2cnc3[nH]ccc3c2)ccc1F.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(Cl)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(N4CC(F)(F)C4)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(N4CCC4OC)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]ccc3c2)c1.CC/C=C/C(=O)Nc1cc(-c2cnc3[nH]cc(Cl)c3c2)ccc1Cl.CN(C)/C=C/C(=O)Nc1cc(-c2cnc3[nH]cc(Cl)c3c2)ccc1Cl.

What is the InChIKey of (E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide?

The InChIKey is BELLHOSXJIJAQF-JTEPHJHHSA-N. The full InChI is InChI=1S/C20H20N4O2.C19H16F2N4O.C18H16Cl2N4O.C18H15Cl2N3O.C16H11Cl2N3O.C16H12ClN3O.C16H12FN3O.C16H13N3O/c1-3-18(25)23-15-6-4-5-13(9-15)14-10-16-17(12-22-20(16)21-11-14)24-8-7-19(24)26-2;1-2-17(26)24-14-5-3-4-12(6-14)13-7-15-16(9-23-18(15)22-8-13)25-10-19(20,21)11-25;1-24(2)6-5-17(25)23-16-8-11(3-4-14(16)19)12-7-13-15(20)10-22-18(13)21-9-12;1-2-3-4-17(24)23-16-8-11(5-6-14(16)19)12-7-13-15(20)10-22-18(13)21-9-12;1-2-15(22)21-14-6-9(3-4-12(14)17)10-5-11-13(18)8-20-16(11)19-7-10;1-2-15(21)20-12-5-3-4-10(6-12)11-7-13-14(17)9-19-16(13)18-8-11;1-2-15(21)20-14-8-10(3-4-13(14)17)12-7-11-5-6-18-16(11)19-9-12;1-2-15(20)19-14-5-3-4-11(9-14)13-8-12-6-7-17-16(12)18-10-13/h3-6,9-12,19H,1,7-8H2,2H3,(H,21,22)(H,23,25);2-9H,1,10-11H2,(H,22,23)(H,24,26);3-10H,1-2H3,(H,21,22)(H,23,25);3-10H,2H2,1H3,(H,21,22)(H,23,24);2-8H,1H2,(H,19,20)(H,21,22);2*2-9H,1H2,(H,18,19)(H,20,21);2-10H,1H2,(H,17,18)(H,19,20)/b;;6-5+;4-3+;;;;.

What are the key properties of (E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide?

(E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide has a molecular weight of 2612.79 g/mol, XLogP of 32.86, 29 rotatable bonds, 16 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;(E)-N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]pent-2-enamide;N-[2-chloro-5-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[2-fluoro-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 157323554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).