4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide

C161H146Cl3F9N36O21 — CID 158622416

IUPAC4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
SMILESC=C(C(=O)N(C)C)C(O)c1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1Cl.C=C(C(=O)N1CCOCC1)C(O)c1cc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)ccc1Cl.C=C(Cn1cccn1)C(=O)Cc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.C=CC(=O)NCc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(CC(=O)C=C(C)C)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(C(=O)/C=C/CN(C)C)c4)[nH]c3c2)ccn1
InChIInChI=1S/C29H24F3N7O3.C28H27ClN6O5.C27H24F3N5O3.C26H25ClN6O4.C26H25ClN6O3.C25H21F3N6O3/c1-17(16-39-11-3-9-35-39)26(40)12-18-4-5-19(13-22(18)29(30,31)32)36-28-37-23-7-6-20(14-24(23)38-28)42-21-8-10-34-25(15-21)27(41)33-2;1-16(27(38)35-9-11-39-12-10-35)25(36)20-13-17(3-5-21(20)29)32-28-33-22-6-4-18(14-23(22)34-28)40-19-7-8-31-24(15-19)26(37)30-2;1-15(2)10-18(36)11-16-4-5-17(12-21(16)27(28,29)30)33-26-34-22-7-6-19(13-23(22)35-26)38-20-8-9-32-24(14-20)25(37)31-3;1-14(25(36)33(3)4)23(34)18-7-5-15(11-19(18)27)30-26-31-20-8-6-16(12-21(20)32-26)37-17-9-10-29-22(13-17)24(35)28-2;1-28-25(35)23-15-18(10-11-29-23)36-17-7-9-21-22(14-17)32-26(31-21)30-16-6-8-20(27)19(13-16)24(34)5-4-12-33(2)3;1-3-22(35)31-13-14-4-5-15(10-18(14)25(26,27)28)32-24-33-19-7-6-16(11-20(19)34-24)37-17-8-9-30-21(12-17)23(36)29-2/h3-11,13-15H,1,12,16H2,2H3,(H,33,41)(H2,36,37,38);3-8,13-15,25,36H,1,9-12H2,2H3,(H,30,37)(H2,32,33,34);4-10,12-14H,11H2,1-3H3,(H,31,37)(H2,33,34,35);5-13,23,34H,1H2,2-4H3,(H,28,35)(H2,30,31,32);4-11,13-15H,12H2,1-3H3,(H,28,35)(H2,30,31,32);3-12H,1,13H2,2H3,(H,29,36)(H,31,35)(H2,32,33,34)/b;;;;5-4+;
InChIKeyHYEAJHZULPZWCQ-LAZLYBKISA-N
MW3198.51 g/mol
LogP29.01
Rot. Bonds51

About 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide

4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide (PubChem CID 158622416) has the molecular formula C161H146Cl3F9N36O21 and a molecular weight of 3198.51 g/mol. Its IUPAC name is 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
PubChem CID158622416
Molecular FormulaC161H146Cl3F9N36O21
Molecular Weight3198.51 g/mol
Exact Mass3195.04
IUPAC Name4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
SMILESC=C(C(=O)N(C)C)C(O)c1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1Cl.C=C(C(=O)N1CCOCC1)C(O)c1cc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)ccc1Cl.C=C(Cn1cccn1)C(=O)Cc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.C=CC(=O)NCc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(CC(=O)C=C(C)C)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(C(=O)/C=C/CN(C)C)c4)[nH]c3c2)ccn1
InChIInChI=1S/C29H24F3N7O3.C28H27ClN6O5.C27H24F3N5O3.C26H25ClN6O4.C26H25ClN6O3.C25H21F3N6O3/c1-17(16-39-11-3-9-35-39)26(40)12-18-4-5-19(13-22(18)29(30,31)32)36-28-37-23-7-6-20(14-24(23)38-28)42-21-8-10-34-25(15-21)27(41)33-2;1-16(27(38)35-9-11-39-12-10-35)25(36)20-13-17(3-5-21(20)29)32-28-33-22-6-4-18(14-23(22)34-28)40-19-7-8-31-24(15-19)26(37)30-2;1-15(2)10-18(36)11-16-4-5-17(12-21(16)27(28,29)30)33-26-34-22-7-6-19(13-23(22)35-26)38-20-8-9-32-24(14-20)25(37)31-3;1-14(25(36)33(3)4)23(34)18-7-5-15(11-19(18)27)30-26-31-20-8-6-16(12-21(20)32-26)37-17-9-10-29-22(13-17)24(35)28-2;1-28-25(35)23-15-18(10-11-29-23)36-17-7-9-21-22(14-17)32-26(31-21)30-16-6-8-20(27)19(13-16)24(34)5-4-12-33(2)3;1-3-22(35)31-13-14-4-5-15(10-18(14)25(26,27)28)32-24-33-19-7-6-16(11-20(19)34-24)37-17-8-9-30-21(12-17)23(36)29-2/h3-11,13-15H,1,12,16H2,2H3,(H,33,41)(H2,36,37,38);3-8,13-15,25,36H,1,9-12H2,2H3,(H,30,37)(H2,32,33,34);4-10,12-14H,11H2,1-3H3,(H,31,37)(H2,33,34,35);5-13,23,34H,1H2,2-4H3,(H,28,35)(H2,30,31,32);4-11,13-15H,12H2,1-3H3,(H,28,35)(H2,30,31,32);3-12H,1,13H2,2H3,(H,29,36)(H,31,35)(H2,32,33,34)/b;;;;5-4+;
InChIKeyHYEAJHZULPZWCQ-LAZLYBKISA-N
XLogP29.01
TPSA743.26 Ų
H-Bond Donors21
H-Bond Acceptors42
Rotatable Bonds51
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003198.51
LogP ≤ 529.01
H-Bond Donors ≤ 521
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

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

Analyze 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[[2-[3-(but-2-ynoylamino)-4-chloroanilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;2-chloro-N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]propanamide;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-3-en-2-one;N-[[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]methyl]prop-2-enamide;N-[5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]prop-2-enamide;3-methyl-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]but-2-en-1-one
CID 157141979
CID 157586023
CID 157586023
4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(3-chloro-2-oxopropyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-(prop-2-enoylamino)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
CID 158159007
tert-butyl 4-[2-[[2-[4-[(2,6-difluorobenzoyl)amino]-1H-pyrazol-5-yl]-3H-benzimidazol-5-yl]oxy]ethyl]piperidine-1-carboxylate;N-[5-[6-chloro-4-(hydroxymethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2,6-difluorobenzamide;2,6-difluoro-N-[5-[6-(2-piperidin-4-ylethoxy)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;2,6-difluoro-N-[5-(7H-purin-8-yl)-1H-pyrazol-4-yl]benzamide;2-fluoro-6-methoxy-N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]benzamide;N-[5-[6-(morpholin-4-ylmethyl)-1H-benzimidazol-2-yl]-1H-pyrazol-4-yl]-2-(trifluoromethoxy)benzamide
CID 158206836
(E)-1-[2-chloro-5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]phenyl]-4-(dimethylamino)but-2-en-1-one;2-[[2-chloro-4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]phenyl]-hydroxymethyl]-N,N-dimethylprop-2-enamide;1-(2,4-difluoro-3-pyridinyl)-2-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]ethanone;(E)-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;(E)-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]pent-3-en-2-one;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]-3-pyrazol-1-ylbut-3-en-2-one
CID 158547636
CID 158581793
CID 158581793
4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-[2-chloro-5-[[6-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]-1H-benzimidazol-2-yl]amino]phenyl]-2-fluoro-1,3-thiazole-5-carboxamide;4-[[2-[4-chloro-3-[(E)-2-oxopent-3-enoxy]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(2,4-difluoro-3-pyridinyl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[2-(dithiolan-3-yl)-2-oxoethyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-[(E)-2-oxopent-3-enoxy]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide
CID 158705885
2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(1-methyl-2-oxo-3H-pyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;bis(1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea)
CID 159247175
(E)-1-[2-chloro-5-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]phenyl]-4-(dimethylamino)but-2-en-1-one;2-[[2-chloro-4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]phenyl]-hydroxymethyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;(E)-1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]pent-3-en-2-one;1-[4-[[1-methyl-5-[[2-(5-methyl-1H-imidazol-2-yl)-4-pyridinyl]oxy]benzimidazol-2-yl]amino]-2-(trifluoromethyl)phenyl]-3-pyrazol-1-ylbut-3-en-2-one
CID 159945551
N-benzyl-3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]benzamide;N-[(2-chlorophenyl)methyl]-3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]benzamide;3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]-N-(2-morpholin-4-ylethyl)benzamide;3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]-N-pyridin-3-ylbenzamide;3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]-N-(pyridin-3-ylmethyl)benzamide;3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide;3-[[2-[4-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]-7H-purin-6-yl]amino]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 160111933
2-(4-chlorophenyl)-N-[3-[2-cyclopropyl-5-[2-(methylamino)pyrimidin-4-yl]-1H-imidazol-4-yl]phenyl]acetamide;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(1-methyl-2-oxo-3H-pyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;1-[4-chloro-3-(trifluoromethyl)phenyl]-3-[4-[(2-oxo-1,3-dihydropyrrolo[3,2-b]pyridin-7-yl)oxy]phenyl]urea;1-[3-[1-ethyl-4-(1H-indol-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea;1-[3-[1-ethyl-4-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrazol-3-yl]phenyl]-3-(4-methylphenyl)urea
CID 160643414
1-[3-[2-chloro-5-(1,1-difluoroethoxy)phenyl]phenoxy]-3-(3,4-dihydro-1H-isoquinolin-2-yl)propan-2-ol;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N,1-dimethylimidazole-4-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methylfuran-2-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-1-methylpyrrole-2-carboxamide;N-[3-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropoxy]phenyl]-N-methyl-3H-pyrrole-5-carboxamide;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[[5-(3-methylbenzimidazol-5-yl)-3-pyridinyl]amino]propan-2-ol;1-(3,4-dihydro-1H-isoquinolin-2-yl)-3-[3-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)phenoxy]propan-2-ol
CID 160962252

Frequently Asked Questions

What is the IUPAC name of 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?
The IUPAC name of 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide (CID 158622416) is 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide.
What is the SMILES notation for 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?
The canonical SMILES for 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide is C=C(C(=O)N(C)C)C(O)c1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1Cl.C=C(C(=O)N1CCOCC1)C(O)c1cc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)ccc1Cl.C=C(Cn1cccn1)C(=O)Cc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.C=CC(=O)NCc1ccc(Nc2nc3ccc(Oc4ccnc(C(=O)NC)c4)cc3[nH]2)cc1C(F)(F)F.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(CC(=O)C=C(C)C)c(C(F)(F)F)c4)[nH]c3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)c(C(=O)/C=C/CN(C)C)c4)[nH]c3c2)ccn1.
What is the InChIKey of 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?
The InChIKey is HYEAJHZULPZWCQ-LAZLYBKISA-N. The full InChI is InChI=1S/C29H24F3N7O3.C28H27ClN6O5.C27H24F3N5O3.C26H25ClN6O4.C26H25ClN6O3.C25H21F3N6O3/c1-17(16-39-11-3-9-35-39)26(40)12-18-4-5-19(13-22(18)29(30,31)32)36-28-37-23-7-6-20(14-24(23)38-28)42-21-8-10-34-25(15-21)27(41)33-2;1-16(27(38)35-9-11-39-12-10-35)25(36)20-13-17(3-5-21(20)29)32-28-33-22-6-4-18(14-23(22)34-28)40-19-7-8-31-24(15-19)26(37)30-2;1-15(2)10-18(36)11-16-4-5-17(12-21(16)27(28,29)30)33-26-34-22-7-6-19(13-23(22)35-26)38-20-8-9-32-24(14-20)25(37)31-3;1-14(25(36)33(3)4)23(34)18-7-5-15(11-19(18)27)30-26-31-20-8-6-16(12-21(20)32-26)37-17-9-10-29-22(13-17)24(35)28-2;1-28-25(35)23-15-18(10-11-29-23)36-17-7-9-21-22(14-17)32-26(31-21)30-16-6-8-20(27)19(13-16)24(34)5-4-12-33(2)3;1-3-22(35)31-13-14-4-5-15(10-18(14)25(26,27)28)32-24-33-19-7-6-16(11-20(19)34-24)37-17-8-9-30-21(12-17)23(36)29-2/h3-11,13-15H,1,12,16H2,2H3,(H,33,41)(H2,36,37,38);3-8,13-15,25,36H,1,9-12H2,2H3,(H,30,37)(H2,32,33,34);4-10,12-14H,11H2,1-3H3,(H,31,37)(H2,33,34,35);5-13,23,34H,1H2,2-4H3,(H,28,35)(H2,30,31,32);4-11,13-15H,12H2,1-3H3,(H,28,35)(H2,30,31,32);3-12H,1,13H2,2H3,(H,29,36)(H,31,35)(H2,32,33,34)/b;;;;5-4+;.
What are the key properties of 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide?
4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide has a molecular weight of 3198.51 g/mol, XLogP of 29.01, 51 rotatable bonds, 21 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[4-chloro-3-[(E)-4-(dimethylamino)but-2-enoyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[3-chloro-4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide;N-methyl-4-[[2-[4-[(prop-2-enoylamino)methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]pyridine-2-carboxamide is sourced from PubChem (CID 158622416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).