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

C142H122Cl8F2N28O7 — CID 161034715

IUPAC(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;3-chloro-5-[[3-(isocyanomethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(E)-N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;5-[[3-(isocyanomethyl)phenyl]methyl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(-c2cnc3[nH]cc(Cl)c3c2)ccc1Cl.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(N4CC(F)(F)C4)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(N4CCC4OC)c3c2)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.CN(C)/C=C/C(=O)Nc1cccc(-c2cnc3[nH]cc(Cl)c3c2)c1.[C-]#[N+]Cc1cccc(Cc2cnc3[nH]cc(C)c3c2)c1.[C-]#[N+]Cc1cccc(Cc2cnc3[nH]cc(Cl)c3c2)c1
InChIInChI=1S/C20H20N4O2.C19H16F2N4O.C18H16Cl2N4O.C18H15Cl2N3O.C18H17ClN4O.C17H15N3.C16H11Cl2N3O.C16H12ClN3/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;1-23(2)7-6-17(24)22-14-5-3-4-12(8-14)13-9-15-16(19)11-21-18(15)20-10-13;1-12-9-19-17-16(12)8-15(11-20-17)7-13-4-3-5-14(6-13)10-18-2;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;1-18-8-12-4-2-3-11(5-12)6-13-7-14-15(17)10-20-16(14)19-9-13/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);3-11H,1-2H3,(H,20,21)(H,22,24);3-6,8-9,11H,7,10H2,1H3,(H,19,20);2-8H,1H2,(H,19,20)(H,21,22);2-5,7,9-10H,6,8H2,(H,19,20)/b;;6-5+;4-3+;7-6+;;;
InChIKeyUACHGRRUTRIMHT-IYERJTAJSA-N
MW2654.35 g/mol
LogP34.00
Rot. Bonds30

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;3-chloro-5-[[3-(isocyanomethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(E)-N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;5-[[3-(isocyanomethyl)phenyl]methyl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;N-[3-[3-(2-methoxyazetidin-1-yl)-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;3-chloro-5-[[3-(isocyanomethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(E)-N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;5-[[3-(isocyanomethyl)phenyl]methyl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide (PubChem CID 161034715) has the molecular formula C142H122Cl8F2N28O7 and a molecular weight of 2654.35 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;3-chloro-5-[[3-(isocyanomethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(E)-N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;5-[[3-(isocyanomethyl)phenyl]methyl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;N-[3-[3-(2-methoxyazetidin-1-yl)-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;3-chloro-5-[[3-(isocyanomethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(E)-N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;5-[[3-(isocyanomethyl)phenyl]methyl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
PubChem CID161034715
Molecular FormulaC142H122Cl8F2N28O7
Molecular Weight2654.35 g/mol
Exact Mass2648.75
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;3-chloro-5-[[3-(isocyanomethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(E)-N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;5-[[3-(isocyanomethyl)phenyl]methyl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cc(-c2cnc3[nH]cc(Cl)c3c2)ccc1Cl.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(N4CC(F)(F)C4)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(N4CCC4OC)c3c2)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.CN(C)/C=C/C(=O)Nc1cccc(-c2cnc3[nH]cc(Cl)c3c2)c1.[C-]#[N+]Cc1cccc(Cc2cnc3[nH]cc(C)c3c2)c1.[C-]#[N+]Cc1cccc(Cc2cnc3[nH]cc(Cl)c3c2)c1
InChIInChI=1S/C20H20N4O2.C19H16F2N4O.C18H16Cl2N4O.C18H15Cl2N3O.C18H17ClN4O.C17H15N3.C16H11Cl2N3O.C16H12ClN3/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;1-23(2)7-6-17(24)22-14-5-3-4-12(8-14)13-9-15-16(19)11-21-18(15)20-10-13;1-12-9-19-17-16(12)8-15(11-20-17)7-13-4-3-5-14(6-13)10-18-2;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;1-18-8-12-4-2-3-11(5-12)6-13-7-14-15(17)10-20-16(14)19-9-13/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);3-11H,1-2H3,(H,20,21)(H,22,24);3-6,8-9,11H,7,10H2,1H3,(H,19,20);2-8H,1H2,(H,19,20)(H,21,22);2-5,7,9-10H,6,8H2,(H,19,20)/b;;6-5+;4-3+;7-6+;;;
InChIKeyUACHGRRUTRIMHT-IYERJTAJSA-N
XLogP34.00
TPSA434.95 Ų
H-Bond Donors14
H-Bond Acceptors19
Rotatable Bonds30
Heavy Atoms187
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002654.35
LogP ≤ 534.00
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze (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;3-chloro-5-[[3-(isocyanomethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(E)-N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;5-[[3-(isocyanomethyl)phenyl]methyl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide with MolForge

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Related Compounds

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;3-chloro-5-[[3-(isocyanomethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(E)-N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;5-[[3-(isocyanomethyl)phenyl]methyl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;N-[3-[3-(2-methoxyazetidin-1-yl)-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;3-chloro-5-[[3-(isocyanomethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(E)-N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;5-[[3-(isocyanomethyl)phenyl]methyl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide (CID 161034715) 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;3-chloro-5-[[3-(isocyanomethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(E)-N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;5-[[3-(isocyanomethyl)phenyl]methyl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;N-[3-[3-(2-methoxyazetidin-1-yl)-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;3-chloro-5-[[3-(isocyanomethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(E)-N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;5-[[3-(isocyanomethyl)phenyl]methyl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;N-[3-[3-(2-methoxyazetidin-1-yl)-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;3-chloro-5-[[3-(isocyanomethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(E)-N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;5-[[3-(isocyanomethyl)phenyl]methyl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;N-[3-[3-(2-methoxyazetidin-1-yl)-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)Nc1cccc(-c2cnc3[nH]cc(N4CC(F)(F)C4)c3c2)c1.C=CC(=O)Nc1cccc(-c2cnc3[nH]cc(N4CCC4OC)c3c2)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.CN(C)/C=C/C(=O)Nc1cccc(-c2cnc3[nH]cc(Cl)c3c2)c1.[C-]#[N+]Cc1cccc(Cc2cnc3[nH]cc(C)c3c2)c1.[C-]#[N+]Cc1cccc(Cc2cnc3[nH]cc(Cl)c3c2)c1.
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;3-chloro-5-[[3-(isocyanomethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(E)-N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;5-[[3-(isocyanomethyl)phenyl]methyl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide?
The InChIKey is UACHGRRUTRIMHT-IYERJTAJSA-N. The full InChI is InChI=1S/C20H20N4O2.C19H16F2N4O.C18H16Cl2N4O.C18H15Cl2N3O.C18H17ClN4O.C17H15N3.C16H11Cl2N3O.C16H12ClN3/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;1-23(2)7-6-17(24)22-14-5-3-4-12(8-14)13-9-15-16(19)11-21-18(15)20-10-13;1-12-9-19-17-16(12)8-15(11-20-17)7-13-4-3-5-14(6-13)10-18-2;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;1-18-8-12-4-2-3-11(5-12)6-13-7-14-15(17)10-20-16(14)19-9-13/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);3-11H,1-2H3,(H,20,21)(H,22,24);3-6,8-9,11H,7,10H2,1H3,(H,19,20);2-8H,1H2,(H,19,20)(H,21,22);2-5,7,9-10H,6,8H2,(H,19,20)/b;;6-5+;4-3+;7-6+;;;.
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;3-chloro-5-[[3-(isocyanomethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(E)-N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;5-[[3-(isocyanomethyl)phenyl]methyl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;N-[3-[3-(2-methoxyazetidin-1-yl)-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;3-chloro-5-[[3-(isocyanomethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(E)-N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;5-[[3-(isocyanomethyl)phenyl]methyl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide has a molecular weight of 2654.35 g/mol, XLogP of 34.00, 30 rotatable bonds, 14 hydrogen bond donors, and 19 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;3-chloro-5-[[3-(isocyanomethyl)phenyl]methyl]-1H-pyrrolo[2,3-b]pyridine;(E)-N-[3-(3-chloro-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]-3-(dimethylamino)prop-2-enamide;N-[3-[3-(3,3-difluoroazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;5-[[3-(isocyanomethyl)phenyl]methyl]-3-methyl-1H-pyrrolo[2,3-b]pyridine;N-[3-[3-(2-methoxyazetidin-1-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide is sourced from PubChem (CID 161034715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).