(E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;ethyl (E)-4-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]anilino]-4-oxobut-2-enoate;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-4-methoxy-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholin-4-ylbut-2-enamide

C178H171F2N31O17 — CID 157326962

IUPAC(E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;ethyl (E)-4-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]anilino]-4-oxobut-2-enoate;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-4-methoxy-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholin-4-ylbut-2-enamide
SMILESC=C(COC)C(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)c1.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)ccc1F.CCOC(=O)/C=C/C(=O)Nc1cccc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)c1.COC/C=C/C(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)c1.COc1cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)cc(NC(=O)/C=C/CN(C)C)c1F.COc1cc(NC(=O)/C=C/CN(C)C)cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2C)c1.COc1cc(NC(=O)/C=C/CN2CCOCC2)cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)c1
InChIInChI=1S/C28H29N5O3.C27H29N5O2.C26H26FN5O2.2C25H24N4O3.C25H22N4O3.C22H17FN4O/c1-19-12-20(5-6-29-19)26-18-31-28-25(26)15-22(17-30-28)21-13-23(16-24(14-21)35-2)32-27(34)4-3-7-33-8-10-36-11-9-33;1-17-11-19(8-9-28-17)24-16-30-27-26(24)18(2)23(15-29-27)20-12-21(14-22(13-20)34-5)31-25(33)7-6-10-32(3)4;1-16-10-17(7-8-28-16)21-15-30-26-20(21)11-19(14-29-26)18-12-22(25(27)23(13-18)34-4)31-24(33)6-5-9-32(2)3;1-15(14-31-3)25(30)29-20-8-18(9-21(11-20)32-4)19-10-22-23(13-28-24(22)27-12-19)17-5-6-26-16(2)7-17;1-16-9-17(6-7-26-16)23-15-28-25-22(23)12-19(14-27-25)18-10-20(13-21(11-18)32-3)29-24(30)5-4-8-31-2;1-3-32-24(31)8-7-23(30)29-20-6-4-5-17(12-20)19-13-21-22(15-28-25(21)27-14-19)18-9-10-26-16(2)11-18;1-3-21(28)27-20-10-14(4-5-19(20)23)16-9-17-18(12-26-22(17)25-11-16)15-6-7-24-13(2)8-15/h3-6,12-18H,7-11H2,1-2H3,(H,30,31)(H,32,34);6-9,11-16H,10H2,1-5H3,(H,29,30)(H,31,33);5-8,10-15H,9H2,1-4H3,(H,29,30)(H,31,33);5-13H,1,14H2,2-4H3,(H,27,28)(H,29,30);4-7,9-15H,8H2,1-3H3,(H,27,28)(H,29,30);4-15H,3H2,1-2H3,(H,27,28)(H,29,30);3-12H,1H2,2H3,(H,25,26)(H,27,28)/b4-3+;7-6+;6-5+;;5-4+;8-7+;
InChIKeyBEVNTVMUTXGDNI-JYNOJHECSA-N
MW3054.52 g/mol
LogP33.24
Rot. Bonds45

About (E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;ethyl (E)-4-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]anilino]-4-oxobut-2-enoate;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-4-methoxy-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholin-4-ylbut-2-enamide

(E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;ethyl (E)-4-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]anilino]-4-oxobut-2-enoate;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-4-methoxy-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholin-4-ylbut-2-enamide (PubChem CID 157326962) has the molecular formula C178H171F2N31O17 and a molecular weight of 3054.52 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;ethyl (E)-4-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]anilino]-4-oxobut-2-enoate;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-4-methoxy-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholin-4-ylbut-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;ethyl (E)-4-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]anilino]-4-oxobut-2-enoate;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-4-methoxy-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholin-4-ylbut-2-enamide
PubChem CID157326962
Molecular FormulaC178H171F2N31O17
Molecular Weight3054.52 g/mol
Exact Mass3052.34
IUPAC Name(E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;ethyl (E)-4-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]anilino]-4-oxobut-2-enoate;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-4-methoxy-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholin-4-ylbut-2-enamide
SMILESC=C(COC)C(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)c1.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)ccc1F.CCOC(=O)/C=C/C(=O)Nc1cccc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)c1.COC/C=C/C(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)c1.COc1cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)cc(NC(=O)/C=C/CN(C)C)c1F.COc1cc(NC(=O)/C=C/CN(C)C)cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2C)c1.COc1cc(NC(=O)/C=C/CN2CCOCC2)cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)c1
InChIInChI=1S/C28H29N5O3.C27H29N5O2.C26H26FN5O2.2C25H24N4O3.C25H22N4O3.C22H17FN4O/c1-19-12-20(5-6-29-19)26-18-31-28-25(26)15-22(17-30-28)21-13-23(16-24(14-21)35-2)32-27(34)4-3-7-33-8-10-36-11-9-33;1-17-11-19(8-9-28-17)24-16-30-27-26(24)18(2)23(15-29-27)20-12-21(14-22(13-20)34-5)31-25(33)7-6-10-32(3)4;1-16-10-17(7-8-28-16)21-15-30-26-20(21)11-19(14-29-26)18-12-22(25(27)23(13-18)34-4)31-24(33)6-5-9-32(2)3;1-15(14-31-3)25(30)29-20-8-18(9-21(11-20)32-4)19-10-22-23(13-28-24(22)27-12-19)17-5-6-26-16(2)7-17;1-16-9-17(6-7-26-16)23-15-28-25-22(23)12-19(14-27-25)18-10-20(13-21(11-18)32-3)29-24(30)5-4-8-31-2;1-3-32-24(31)8-7-23(30)29-20-6-4-5-17(12-20)19-13-21-22(15-28-25(21)27-14-19)18-9-10-26-16(2)11-18;1-3-21(28)27-20-10-14(4-5-19(20)23)16-9-17-18(12-26-22(17)25-11-16)15-6-7-24-13(2)8-15/h3-6,12-18H,7-11H2,1-2H3,(H,30,31)(H,32,34);6-9,11-16H,10H2,1-5H3,(H,29,30)(H,31,33);5-8,10-15H,9H2,1-4H3,(H,29,30)(H,31,33);5-13H,1,14H2,2-4H3,(H,27,28)(H,29,30);4-7,9-15H,8H2,1-3H3,(H,27,28)(H,29,30);4-15H,3H2,1-2H3,(H,27,28)(H,29,30);3-12H,1H2,2H3,(H,25,26)(H,27,28)/b4-3+;7-6+;6-5+;;5-4+;8-7+;
InChIKeyBEVNTVMUTXGDNI-JYNOJHECSA-N
XLogP33.24
TPSA604.55 Ų
H-Bond Donors14
H-Bond Acceptors34
Rotatable Bonds45
Heavy Atoms228
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003054.52
LogP ≤ 533.24
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze (E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;ethyl (E)-4-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]anilino]-4-oxobut-2-enoate;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-4-methoxy-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholin-4-ylbut-2-enamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;ethyl (E)-4-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]anilino]-4-oxobut-2-enoate;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-4-methoxy-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholin-4-ylbut-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;ethyl (E)-4-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]anilino]-4-oxobut-2-enoate;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-4-methoxy-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholin-4-ylbut-2-enamide (CID 157326962) is (E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;ethyl (E)-4-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]anilino]-4-oxobut-2-enoate;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-4-methoxy-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholin-4-ylbut-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;ethyl (E)-4-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]anilino]-4-oxobut-2-enoate;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-4-methoxy-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholin-4-ylbut-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;ethyl (E)-4-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]anilino]-4-oxobut-2-enoate;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-4-methoxy-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholin-4-ylbut-2-enamide is C=C(COC)C(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)c1.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)ccc1F.CCOC(=O)/C=C/C(=O)Nc1cccc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)c1.COC/C=C/C(=O)Nc1cc(OC)cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)c1.COc1cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)cc(NC(=O)/C=C/CN(C)C)c1F.COc1cc(NC(=O)/C=C/CN(C)C)cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2C)c1.COc1cc(NC(=O)/C=C/CN2CCOCC2)cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)c1.
What is the InChIKey of (E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;ethyl (E)-4-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]anilino]-4-oxobut-2-enoate;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-4-methoxy-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholin-4-ylbut-2-enamide?
The InChIKey is BEVNTVMUTXGDNI-JYNOJHECSA-N. The full InChI is InChI=1S/C28H29N5O3.C27H29N5O2.C26H26FN5O2.2C25H24N4O3.C25H22N4O3.C22H17FN4O/c1-19-12-20(5-6-29-19)26-18-31-28-25(26)15-22(17-30-28)21-13-23(16-24(14-21)35-2)32-27(34)4-3-7-33-8-10-36-11-9-33;1-17-11-19(8-9-28-17)24-16-30-27-26(24)18(2)23(15-29-27)20-12-21(14-22(13-20)34-5)31-25(33)7-6-10-32(3)4;1-16-10-17(7-8-28-16)21-15-30-26-20(21)11-19(14-29-26)18-12-22(25(27)23(13-18)34-4)31-24(33)6-5-9-32(2)3;1-15(14-31-3)25(30)29-20-8-18(9-21(11-20)32-4)19-10-22-23(13-28-24(22)27-12-19)17-5-6-26-16(2)7-17;1-16-9-17(6-7-26-16)23-15-28-25-22(23)12-19(14-27-25)18-10-20(13-21(11-18)32-3)29-24(30)5-4-8-31-2;1-3-32-24(31)8-7-23(30)29-20-6-4-5-17(12-20)19-13-21-22(15-28-25(21)27-14-19)18-9-10-26-16(2)11-18;1-3-21(28)27-20-10-14(4-5-19(20)23)16-9-17-18(12-26-22(17)25-11-16)15-6-7-24-13(2)8-15/h3-6,12-18H,7-11H2,1-2H3,(H,30,31)(H,32,34);6-9,11-16H,10H2,1-5H3,(H,29,30)(H,31,33);5-8,10-15H,9H2,1-4H3,(H,29,30)(H,31,33);5-13H,1,14H2,2-4H3,(H,27,28)(H,29,30);4-7,9-15H,8H2,1-3H3,(H,27,28)(H,29,30);4-15H,3H2,1-2H3,(H,27,28)(H,29,30);3-12H,1H2,2H3,(H,25,26)(H,27,28)/b4-3+;7-6+;6-5+;;5-4+;8-7+;.
What are the key properties of (E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;ethyl (E)-4-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]anilino]-4-oxobut-2-enoate;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-4-methoxy-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholin-4-ylbut-2-enamide?
(E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;ethyl (E)-4-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]anilino]-4-oxobut-2-enoate;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-4-methoxy-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholin-4-ylbut-2-enamide has a molecular weight of 3054.52 g/mol, XLogP of 33.24, 45 rotatable bonds, 14 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[4-methyl-3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;ethyl (E)-4-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]anilino]-4-oxobut-2-enoate;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-4-methoxy-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide;2-(methoxymethyl)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;(E)-N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-4-morpholin-4-ylbut-2-enamide is sourced from PubChem (CID 157326962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).