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

C216H224F4N36O14 — CID 160947671

IUPAC(E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-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]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-methyl-N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide
SMILESCOc1cc(-c2c[nH]c3ncc(-c4cccc(N(C)C(=O)/C=C/CN(C)C)c4)cc23)ccn1.COc1cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)cc(N(C)C(=O)/C=C/CN(C)C)c1.COc1cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)cc(N(C)C(=O)/C=C/CN(C)C)c1F.COc1cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)cc(N(C)C(=O)/C=C/CN(C)C)c1F.COc1cc(-c2cnc3[nH]cc(-c4ccnc(OC)c4)c3c2)cc(N(C)C(=O)/C=C/CN(C)C)c1.Cc1cc(-c2c[nH]c3ncc(-c4ccc(F)c(N(C)C(=O)/C=C/CN(C)C)c4)cc23)ccn1.Cc1cccc(-c2c[nH]c3ncc(-c4ccc(F)c(N(C)C(=O)/C=C/CN(C)C)c4)cc23)c1.Cc1cccc(-c2c[nH]c3ncc(-c4cccc(N(C)C(=O)/C=C/CN(C)C)c4)cc23)c1
InChIInChI=1S/C28H29FN4O2.C28H30N4O2.C27H28FN5O2.C27H27FN4O.C27H29N5O3.C27H28N4O.C26H26FN5O.C26H27N5O2/c1-18-8-6-9-19(12-18)23-17-31-28-22(23)13-21(16-30-28)20-14-24(27(29)25(15-20)35-5)33(4)26(34)10-7-11-32(2)3;1-19-8-6-9-20(12-19)26-18-30-28-25(26)15-22(17-29-28)21-13-23(16-24(14-21)34-5)32(4)27(33)10-7-11-31(2)3;1-17-11-18(8-9-29-17)22-16-31-27-21(22)12-20(15-30-27)19-13-23(26(28)24(14-19)35-5)33(4)25(34)7-6-10-32(2)3;1-18-7-5-8-20(13-18)23-17-30-27-22(23)14-21(16-29-27)19-10-11-24(28)25(15-19)32(4)26(33)9-6-12-31(2)3;1-31(2)10-6-7-26(33)32(3)21-11-19(12-22(15-21)34-4)20-13-23-24(17-30-27(23)29-16-20)18-8-9-28-25(14-18)35-5;1-19-8-5-10-21(14-19)25-18-29-27-24(25)16-22(17-28-27)20-9-6-11-23(15-20)31(4)26(32)12-7-13-30(2)3;1-17-12-19(9-10-28-17)22-16-30-26-21(22)13-20(15-29-26)18-7-8-23(27)24(14-18)32(4)25(33)6-5-11-31(2)3;1-30(2)12-6-9-25(32)31(3)21-8-5-7-18(13-21)20-14-22-23(17-29-26(22)28-16-20)19-10-11-27-24(15-19)33-4/h6-10,12-17H,11H2,1-5H3,(H,30,31);6-10,12-18H,11H2,1-5H3,(H,29,30);6-9,11-16H,10H2,1-5H3,(H,30,31);5-11,13-17H,12H2,1-4H3,(H,29,30);6-9,11-17H,10H2,1-5H3,(H,29,30);5-12,14-18H,13H2,1-4H3,(H,28,29);5-10,12-16H,11H2,1-4H3,(H,29,30);5-11,13-17H,12H2,1-4H3,(H,28,29)/b2*10-7+;7-6+;9-6+;7-6+;12-7+;6-5+;9-6+
InChIKeySVIGRJWWXATHQS-RVJPYEKBSA-N
MW3624.40 g/mol
LogP39.86
Rot. Bonds54

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

(E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-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]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-methyl-N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide (PubChem CID 160947671) has the molecular formula C216H224F4N36O14 and a molecular weight of 3624.40 g/mol. Its IUPAC name is (E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-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]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-methyl-N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide.

Molecular Properties

Compound Name(E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-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]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-methyl-N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide
PubChem CID160947671
Molecular FormulaC216H224F4N36O14
Molecular Weight3624.40 g/mol
Exact Mass3621.79
IUPAC Name(E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-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]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-methyl-N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide
SMILESCOc1cc(-c2c[nH]c3ncc(-c4cccc(N(C)C(=O)/C=C/CN(C)C)c4)cc23)ccn1.COc1cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)cc(N(C)C(=O)/C=C/CN(C)C)c1.COc1cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)cc(N(C)C(=O)/C=C/CN(C)C)c1F.COc1cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)cc(N(C)C(=O)/C=C/CN(C)C)c1F.COc1cc(-c2cnc3[nH]cc(-c4ccnc(OC)c4)c3c2)cc(N(C)C(=O)/C=C/CN(C)C)c1.Cc1cc(-c2c[nH]c3ncc(-c4ccc(F)c(N(C)C(=O)/C=C/CN(C)C)c4)cc23)ccn1.Cc1cccc(-c2c[nH]c3ncc(-c4ccc(F)c(N(C)C(=O)/C=C/CN(C)C)c4)cc23)c1.Cc1cccc(-c2c[nH]c3ncc(-c4cccc(N(C)C(=O)/C=C/CN(C)C)c4)cc23)c1
InChIInChI=1S/C28H29FN4O2.C28H30N4O2.C27H28FN5O2.C27H27FN4O.C27H29N5O3.C27H28N4O.C26H26FN5O.C26H27N5O2/c1-18-8-6-9-19(12-18)23-17-31-28-22(23)13-21(16-30-28)20-14-24(27(29)25(15-20)35-5)33(4)26(34)10-7-11-32(2)3;1-19-8-6-9-20(12-19)26-18-30-28-25(26)15-22(17-29-28)21-13-23(16-24(14-21)34-5)32(4)27(33)10-7-11-31(2)3;1-17-11-18(8-9-29-17)22-16-31-27-21(22)12-20(15-30-27)19-13-23(26(28)24(14-19)35-5)33(4)25(34)7-6-10-32(2)3;1-18-7-5-8-20(13-18)23-17-30-27-22(23)14-21(16-29-27)19-10-11-24(28)25(15-19)32(4)26(33)9-6-12-31(2)3;1-31(2)10-6-7-26(33)32(3)21-11-19(12-22(15-21)34-4)20-13-23-24(17-30-27(23)29-16-20)18-8-9-28-25(14-18)35-5;1-19-8-5-10-21(14-19)25-18-29-27-24(25)16-22(17-28-27)20-9-6-11-23(15-20)31(4)26(32)12-7-13-30(2)3;1-17-12-19(9-10-28-17)22-16-30-26-21(22)13-20(15-29-26)18-7-8-23(27)24(14-18)32(4)25(33)6-5-11-31(2)3;1-30(2)12-6-9-25(32)31(3)21-8-5-7-18(13-21)20-14-22-23(17-29-26(22)28-16-20)19-10-11-27-24(15-19)33-4/h6-10,12-17H,11H2,1-5H3,(H,30,31);6-10,12-18H,11H2,1-5H3,(H,29,30);6-9,11-16H,10H2,1-5H3,(H,30,31);5-11,13-17H,12H2,1-4H3,(H,29,30);6-9,11-17H,10H2,1-5H3,(H,29,30);5-12,14-18H,13H2,1-4H3,(H,28,29);5-10,12-16H,11H2,1-4H3,(H,29,30);5-11,13-17H,12H2,1-4H3,(H,28,29)/b2*10-7+;7-6+;9-6+;7-6+;12-7+;6-5+;9-6+
InChIKeySVIGRJWWXATHQS-RVJPYEKBSA-N
XLogP39.86
TPSA524.78 Ų
H-Bond Donors8
H-Bond Acceptors34
Rotatable Bonds54
Heavy Atoms270
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003624.40
LogP ≤ 539.86
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1034

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

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Launch Full Analysis

Related Compounds

N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide;bis(N-[3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylprop-2-enamide)
CID 159248570
(E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide
CID 135238002
(E)-4-(dimethylamino)-N-[3-[3-(2-fluoro-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]-N-methylbut-2-enamide
CID 135238547
(E)-4-(dimethylamino)-N-methyl-N-[5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide
CID 135253599
(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide
CID 135238352
N-[3-[3-(2-cyano-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-methoxyphenyl]-N-methylprop-2-enamide
CID 135237851
(E)-4-(dimethylamino)-N-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide
CID 135238179
3-(3,4-dimethoxyphenyl)-5-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118709501
1-[5-[3-[[(E)-4-(dimethylamino)but-2-enoyl]-methylamino]-5-methoxyphenyl]-3-(2-methoxy-4-pyridinyl)pyrrolo[2,3-b]pyridin-1-yl]ethyl ethyl hydrogen phosphate
CID 135238418
(E)-4-(dimethylamino)-N-[3-[3-(2-fluoro-4-pyridinyl)-1-methylpyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide
CID 135237744
5-(3-fluorophenyl)-3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 118562635
(E)-2-cyano-3-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide
CID 122421313

Frequently Asked Questions

What is the IUPAC name of (E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-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]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-methyl-N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide?
The IUPAC name of (E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-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]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-methyl-N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide (CID 160947671) is (E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-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]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-methyl-N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide.
What is the SMILES notation for (E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-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]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-methyl-N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide?
The canonical SMILES for (E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-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]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-methyl-N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide is COc1cc(-c2c[nH]c3ncc(-c4cccc(N(C)C(=O)/C=C/CN(C)C)c4)cc23)ccn1.COc1cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)cc(N(C)C(=O)/C=C/CN(C)C)c1.COc1cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)cc(N(C)C(=O)/C=C/CN(C)C)c1F.COc1cc(-c2cnc3[nH]cc(-c4ccnc(C)c4)c3c2)cc(N(C)C(=O)/C=C/CN(C)C)c1F.COc1cc(-c2cnc3[nH]cc(-c4ccnc(OC)c4)c3c2)cc(N(C)C(=O)/C=C/CN(C)C)c1.Cc1cc(-c2c[nH]c3ncc(-c4ccc(F)c(N(C)C(=O)/C=C/CN(C)C)c4)cc23)ccn1.Cc1cccc(-c2c[nH]c3ncc(-c4ccc(F)c(N(C)C(=O)/C=C/CN(C)C)c4)cc23)c1.Cc1cccc(-c2c[nH]c3ncc(-c4cccc(N(C)C(=O)/C=C/CN(C)C)c4)cc23)c1.
What is the InChIKey of (E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-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]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-methyl-N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide?
The InChIKey is SVIGRJWWXATHQS-RVJPYEKBSA-N. The full InChI is InChI=1S/C28H29FN4O2.C28H30N4O2.C27H28FN5O2.C27H27FN4O.C27H29N5O3.C27H28N4O.C26H26FN5O.C26H27N5O2/c1-18-8-6-9-19(12-18)23-17-31-28-22(23)13-21(16-30-28)20-14-24(27(29)25(15-20)35-5)33(4)26(34)10-7-11-32(2)3;1-19-8-6-9-20(12-19)26-18-30-28-25(26)15-22(17-29-28)21-13-23(16-24(14-21)34-5)32(4)27(33)10-7-11-31(2)3;1-17-11-18(8-9-29-17)22-16-31-27-21(22)12-20(15-30-27)19-13-23(26(28)24(14-19)35-5)33(4)25(34)7-6-10-32(2)3;1-18-7-5-8-20(13-18)23-17-30-27-22(23)14-21(16-29-27)19-10-11-24(28)25(15-19)32(4)26(33)9-6-12-31(2)3;1-31(2)10-6-7-26(33)32(3)21-11-19(12-22(15-21)34-4)20-13-23-24(17-30-27(23)29-16-20)18-8-9-28-25(14-18)35-5;1-19-8-5-10-21(14-19)25-18-29-27-24(25)16-22(17-28-27)20-9-6-11-23(15-20)31(4)26(32)12-7-13-30(2)3;1-17-12-19(9-10-28-17)22-16-30-26-21(22)13-20(15-29-26)18-7-8-23(27)24(14-18)32(4)25(33)6-5-11-31(2)3;1-30(2)12-6-9-25(32)31(3)21-8-5-7-18(13-21)20-14-22-23(17-29-26(22)28-16-20)19-10-11-27-24(15-19)33-4/h6-10,12-17H,11H2,1-5H3,(H,30,31);6-10,12-18H,11H2,1-5H3,(H,29,30);6-9,11-16H,10H2,1-5H3,(H,30,31);5-11,13-17H,12H2,1-4H3,(H,29,30);6-9,11-17H,10H2,1-5H3,(H,29,30);5-12,14-18H,13H2,1-4H3,(H,28,29);5-10,12-16H,11H2,1-4H3,(H,29,30);5-11,13-17H,12H2,1-4H3,(H,28,29)/b2*10-7+;7-6+;9-6+;7-6+;12-7+;6-5+;9-6+.
What are the key properties of (E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-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]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-methyl-N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide?
(E)-4-(dimethylamino)-N-[2-fluoro-3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-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]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-methyl-N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide has a molecular weight of 3624.40 g/mol, XLogP of 39.86, 54 rotatable bonds, 8 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-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-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]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[2-fluoro-5-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-methoxy-5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-methyl-N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]but-2-enamide is sourced from PubChem (CID 160947671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).