(E)-N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]-4-(dimethylamino)but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide)

C152H130F15N29O7 — CID 160501508

IUPAC(E)-N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]-4-(dimethylamino)but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide)
SMILESC=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)cc(C(F)(F)F)c1.CN(C)C/C=C/C(=O)Nc1cc(-c2cnc3[nH]cc(-c4ccnc5c4C=CC5)c3c2)cc(C(F)(F)F)c1.CN(C)C/C=C/C(=O)Nc1cc(-c2cnc3[nH]cc(-c4ccnc5c4ccn5C)c3c2)cc(C(F)(F)F)c1.CN(C)C/C=C/C(=O)Nc1cncc(-c2cnc3[nH]cc(-c4ccncn4)c3c2)c1.COc1cc(-c2c[nH]c3ncc(-c4cc(NC(=O)/C=C/CN(C)C)cc(C(F)(F)F)c4)cc23)ccn1
InChIInChI=1S/C28H25F3N6O.C28H24F3N5O.C26H24F3N5O2.2C24H18F3N3O.C22H21N7O/c1-36(2)9-4-5-25(38)35-20-12-17(11-19(14-20)28(29,30)31)18-13-23-24(16-34-26(23)33-15-18)21-6-8-32-27-22(21)7-10-37(27)3;1-36(2)10-4-7-26(37)35-20-12-17(11-19(14-20)28(29,30)31)18-13-23-24(16-34-27(23)33-15-18)21-8-9-32-25-6-3-5-22(21)25;1-34(2)8-4-5-23(35)33-20-10-17(9-19(13-20)26(27,28)29)18-11-21-22(15-32-25(21)31-14-18)16-6-7-30-24(12-16)36-3;2*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;1-29(2)7-3-4-21(30)28-17-8-15(10-24-12-17)16-9-18-19(13-26-22(18)25-11-16)20-5-6-23-14-27-20/h4-8,10-16H,9H2,1-3H3,(H,33,34)(H,35,38);3-5,7-9,11-16H,6,10H2,1-2H3,(H,33,34)(H,35,37);4-7,9-15H,8H2,1-3H3,(H,31,32)(H,33,35);2*3-13H,1H2,2H3,(H,28,29)(H,30,31);3-6,8-14H,7H2,1-2H3,(H,25,26)(H,28,30)/b5-4+;7-4+;5-4+;;;4-3+
InChIKeyQRVPAPHHRVJOOR-QXLUDSIUSA-N
MW2759.88 g/mol
LogP33.01
Rot. Bonds33

About (E)-N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]-4-(dimethylamino)but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide)

(E)-N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]-4-(dimethylamino)but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide) (PubChem CID 160501508) has the molecular formula C152H130F15N29O7 and a molecular weight of 2759.88 g/mol. Its IUPAC name is (E)-N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]-4-(dimethylamino)but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide).

Molecular Properties

Compound Name(E)-N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]-4-(dimethylamino)but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide)
PubChem CID160501508
Molecular FormulaC152H130F15N29O7
Molecular Weight2759.88 g/mol
Exact Mass2758.05
IUPAC Name(E)-N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]-4-(dimethylamino)but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide)
SMILESC=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)cc(C(F)(F)F)c1.CN(C)C/C=C/C(=O)Nc1cc(-c2cnc3[nH]cc(-c4ccnc5c4C=CC5)c3c2)cc(C(F)(F)F)c1.CN(C)C/C=C/C(=O)Nc1cc(-c2cnc3[nH]cc(-c4ccnc5c4ccn5C)c3c2)cc(C(F)(F)F)c1.CN(C)C/C=C/C(=O)Nc1cncc(-c2cnc3[nH]cc(-c4ccncn4)c3c2)c1.COc1cc(-c2c[nH]c3ncc(-c4cc(NC(=O)/C=C/CN(C)C)cc(C(F)(F)F)c4)cc23)ccn1
InChIInChI=1S/C28H25F3N6O.C28H24F3N5O.C26H24F3N5O2.2C24H18F3N3O.C22H21N7O/c1-36(2)9-4-5-25(38)35-20-12-17(11-19(14-20)28(29,30)31)18-13-23-24(16-34-26(23)33-15-18)21-6-8-32-27-22(21)7-10-37(27)3;1-36(2)10-4-7-26(37)35-20-12-17(11-19(14-20)28(29,30)31)18-13-23-24(16-34-27(23)33-15-18)21-8-9-32-25-6-3-5-22(21)25;1-34(2)8-4-5-23(35)33-20-10-17(9-19(13-20)26(27,28)29)18-11-21-22(15-32-25(21)31-14-18)16-6-7-30-24(12-16)36-3;2*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;1-29(2)7-3-4-21(30)28-17-8-15(10-24-12-17)16-9-18-19(13-26-22(18)25-11-16)20-5-6-23-14-27-20/h4-8,10-16H,9H2,1-3H3,(H,33,34)(H,35,38);3-5,7-9,11-16H,6,10H2,1-2H3,(H,33,34)(H,35,37);4-7,9-15H,8H2,1-3H3,(H,31,32)(H,33,35);2*3-13H,1H2,2H3,(H,28,29)(H,30,31);3-6,8-14H,7H2,1-2H3,(H,25,26)(H,28,30)/b5-4+;7-4+;5-4+;;;4-3+
InChIKeyQRVPAPHHRVJOOR-QXLUDSIUSA-N
XLogP33.01
TPSA451.14 Ų
H-Bond Donors12
H-Bond Acceptors24
Rotatable Bonds33
Heavy Atoms203
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002759.88
LogP ≤ 533.01
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]-4-(dimethylamino)but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide) with MolForge

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Related Compounds

N-[3-[3-[2-methoxy-5-(2-pyridin-2-ylethyl)pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 122421594
1-(4-Acetyl-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-phenylmethoxypyridin-2-one;1-(4-acetyl-8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-[6-(trifluoromethyl)-3-pyridinyl]pyridin-2-one;1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-[4-(trifluoromethyl)phenyl]pyridin-2-one;1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridin-2-one;1-(8-methyl-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-11-yl)-4-[5-(trifluoromethyl)-2-pyridinyl]pyridin-2-one
CID 157272639
2-N-[4-(difluoromethoxy)phenyl]-6-(4,6-difluoro-2-methylbenzimidazol-1-yl)pyrimidine-2,4-diamine;2-N-[4-(difluoromethoxy)phenyl]-6-[6-fluoro-2-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidine-2,4-diamine;6-(2-ethylbenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;6-(2-ethyl-6-fluorobenzimidazol-1-yl)-5-fluoro-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(6-fluoro-2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine;5-fluoro-6-(2-methylbenzimidazol-1-yl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
CID 157293772
N-(3,5-difluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;8-(2-fluorophenyl)-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(3-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(4-fluorophenyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-methyl-4-pyridinyl)-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-phenyl-8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 157307599
N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;(E)-4-(dimethylamino)-N-[5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide;N-[3-[3-(5-ethyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-(1-methylpyrazol-4-yl)-5-[3-(5-methyl-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]prop-2-enamide;N-[3-[3-(2-methyl-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide;N-[3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-5-(trifluoromethyl)phenyl]prop-2-enamide
CID 157424870
[1-benzyl-3-phenyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-methyl-5-(trifluoromethyl)indol-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]methanol;[3-(6-methoxy-3-pyridinyl)-1-[[3-(trifluoromethyl)phenyl]methyl]pyrrolo[2,3-b]pyridin-2-yl]methanol
CID 157487724
1-butyl-3-(3-isoquinolin-7-yl-4-methylphenyl)urea;1-(3-isoquinolin-7-yl-4-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea;N-(3-isoquinolin-7-yl-4-methylphenyl)-4-(trifluoromethyl)benzamide;N-[4-methyl-3-(7H-purin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(1H-pyrrolo[3,2-b]pyridin-5-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 157504220
CID 157523316
CID 157523316
bis((E)-4-(dimethylamino)-N-[5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]but-2-enamide);(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;N-[5-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]prop-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide)
CID 157535380
1-[(2S)-2-[8-amino-1-[6-[(4-fluorophenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[(4-methoxyphenyl)methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-(6-phenylmethoxy-3-pyridinyl)imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one;1-[(2S)-2-[8-amino-1-[6-[[4-(trifluoromethyl)phenyl]methoxy]-3-pyridinyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidin-1-yl]prop-2-en-1-one
CID 157643541
3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-N-methyl-6-propan-2-ylpyridin-2-amine;3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-1H-pyridin-2-one;[3-(3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazin-2-yl)-6-propan-2-yl-2-pyridinyl] trifluoromethanesulfonate;2-(2-ethyl-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;methane;2-(2-methoxy-6-propan-2-yl-3-pyridinyl)-3,7-dimethyl-5-propan-2-ylpyrrolo[2,3-b]pyrazine;trifluoromethylsulfonyl trifluoromethanesulfonate;hydrochloride
CID 157851410
6-(4-ethynylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine;4-[4-[4-(4-methoxyphenyl)-5-(trifluoromethyl)-1H-imidazol-2-yl]piperidin-1-yl]-6-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidine;6-(4-methylphenyl)-4-[4-[5-methyl-4-[4-(trifluoromethyl)phenyl]-1H-imidazol-2-yl]piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 157881080

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]-4-(dimethylamino)but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide)?
The IUPAC name of (E)-N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]-4-(dimethylamino)but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide) (CID 160501508) is (E)-N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]-4-(dimethylamino)but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide).
What is the SMILES notation for (E)-N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]-4-(dimethylamino)but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide)?
The canonical SMILES for (E)-N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]-4-(dimethylamino)but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide) is C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)cc(C(F)(F)F)c1.C=CC(=O)Nc1cc(-c2cnc3[nH]cc(-c4cccc(C)c4)c3c2)cc(C(F)(F)F)c1.CN(C)C/C=C/C(=O)Nc1cc(-c2cnc3[nH]cc(-c4ccnc5c4C=CC5)c3c2)cc(C(F)(F)F)c1.CN(C)C/C=C/C(=O)Nc1cc(-c2cnc3[nH]cc(-c4ccnc5c4ccn5C)c3c2)cc(C(F)(F)F)c1.CN(C)C/C=C/C(=O)Nc1cncc(-c2cnc3[nH]cc(-c4ccncn4)c3c2)c1.COc1cc(-c2c[nH]c3ncc(-c4cc(NC(=O)/C=C/CN(C)C)cc(C(F)(F)F)c4)cc23)ccn1.
What is the InChIKey of (E)-N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]-4-(dimethylamino)but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide)?
The InChIKey is QRVPAPHHRVJOOR-QXLUDSIUSA-N. The full InChI is InChI=1S/C28H25F3N6O.C28H24F3N5O.C26H24F3N5O2.2C24H18F3N3O.C22H21N7O/c1-36(2)9-4-5-25(38)35-20-12-17(11-19(14-20)28(29,30)31)18-13-23-24(16-34-26(23)33-15-18)21-6-8-32-27-22(21)7-10-37(27)3;1-36(2)10-4-7-26(37)35-20-12-17(11-19(14-20)28(29,30)31)18-13-23-24(16-34-27(23)33-15-18)21-8-9-32-25-6-3-5-22(21)25;1-34(2)8-4-5-23(35)33-20-10-17(9-19(13-20)26(27,28)29)18-11-21-22(15-32-25(21)31-14-18)16-6-7-30-24(12-16)36-3;2*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;1-29(2)7-3-4-21(30)28-17-8-15(10-24-12-17)16-9-18-19(13-26-22(18)25-11-16)20-5-6-23-14-27-20/h4-8,10-16H,9H2,1-3H3,(H,33,34)(H,35,38);3-5,7-9,11-16H,6,10H2,1-2H3,(H,33,34)(H,35,37);4-7,9-15H,8H2,1-3H3,(H,31,32)(H,33,35);2*3-13H,1H2,2H3,(H,28,29)(H,30,31);3-6,8-14H,7H2,1-2H3,(H,25,26)(H,28,30)/b5-4+;7-4+;5-4+;;;4-3+.
What are the key properties of (E)-N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]-4-(dimethylamino)but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide)?
(E)-N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]-4-(dimethylamino)but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide) has a molecular weight of 2759.88 g/mol, XLogP of 33.01, 33 rotatable bonds, 12 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[3-(7H-cyclopenta[b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]-4-(dimethylamino)but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(2-methoxy-4-pyridinyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[3-[3-(1-methylpyrrolo[2,3-b]pyridin-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]but-2-enamide;(E)-4-(dimethylamino)-N-[5-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)-3-pyridinyl]but-2-enamide;bis(N-[3-[3-(3-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-5-(trifluoromethyl)phenyl]prop-2-enamide) is sourced from PubChem (CID 160501508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).