N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)-3-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(4-methylimidazol-1-yl)-5-(prop-2-enoylamino)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide

C158H148F6N30O24 — CID 157105838

IUPACN-methyl-4-[4-[[4-(3-methylbut-2-enoyl)-3-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(4-methylimidazol-1-yl)-5-(prop-2-enoylamino)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESC=CC(=O)Nc1cc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc(-n2cnc(C)c2)c1.C=CC(=O)Nc1cc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc(C(F)(F)F)c1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(C(=O)C=C(C)C)c(-n4cnc(C)c4)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(C(=O)C=C(C)C)cc3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CC(=O)C=C(C)C)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CC(=O)C=C(C)C)cc3)cc2)ccn1
InChIInChI=1S/C29H28N6O4.C27H25F3N4O4.C27H25N7O4.C26H26N4O4.C25H24N4O4.C24H20F3N5O4/c1-18(2)13-27(36)24-10-7-21(14-26(24)35-16-19(3)32-17-35)34-29(38)33-20-5-8-22(9-6-20)39-23-11-12-31-25(15-23)28(37)30-4;1-16(2)12-20(35)13-17-4-5-19(14-23(17)27(28,29)30)34-26(37)33-18-6-8-21(9-7-18)38-22-10-11-32-24(15-22)25(36)31-3;1-4-25(35)31-19-11-20(13-21(12-19)34-15-17(2)30-16-34)33-27(37)32-18-5-7-22(8-6-18)38-23-9-10-29-24(14-23)26(36)28-3;1-17(2)14-21(31)15-18-4-6-19(7-5-18)29-26(33)30-20-8-10-22(11-9-20)34-23-12-13-28-24(16-23)25(32)27-3;1-16(2)14-23(30)17-4-6-18(7-5-17)28-25(32)29-19-8-10-20(11-9-19)33-21-12-13-27-22(15-21)24(31)26-3;1-3-21(33)30-16-10-14(24(25,26)27)11-17(12-16)32-23(35)31-15-4-6-18(7-5-15)36-19-8-9-29-20(13-19)22(34)28-2/h5-17H,1-4H3,(H,30,37)(H2,33,34,38);4-12,14-15H,13H2,1-3H3,(H,31,36)(H2,33,34,37);4-16H,1H2,2-3H3,(H,28,36)(H,31,35)(H2,32,33,37);4-14,16H,15H2,1-3H3,(H,27,32)(H2,29,30,33);4-15H,1-3H3,(H,26,31)(H2,28,29,32);3-13H,1H2,2H3,(H,28,34)(H,30,33)(H2,31,32,35)
InChIKeyAGHFMIUPHPDTII-UHFFFAOYSA-N
MW2965.10 g/mol
LogP30.99
Rot. Bonds46

About N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)-3-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(4-methylimidazol-1-yl)-5-(prop-2-enoylamino)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide

N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)-3-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(4-methylimidazol-1-yl)-5-(prop-2-enoylamino)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide (PubChem CID 157105838) has the molecular formula C158H148F6N30O24 and a molecular weight of 2965.10 g/mol. Its IUPAC name is N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)-3-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(4-methylimidazol-1-yl)-5-(prop-2-enoylamino)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[4-[[4-(3-methylbut-2-enoyl)-3-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(4-methylimidazol-1-yl)-5-(prop-2-enoylamino)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
PubChem CID157105838
Molecular FormulaC158H148F6N30O24
Molecular Weight2965.10 g/mol
Exact Mass2963.12
IUPAC NameN-methyl-4-[4-[[4-(3-methylbut-2-enoyl)-3-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(4-methylimidazol-1-yl)-5-(prop-2-enoylamino)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
SMILESC=CC(=O)Nc1cc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc(-n2cnc(C)c2)c1.C=CC(=O)Nc1cc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc(C(F)(F)F)c1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(C(=O)C=C(C)C)c(-n4cnc(C)c4)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(C(=O)C=C(C)C)cc3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CC(=O)C=C(C)C)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CC(=O)C=C(C)C)cc3)cc2)ccn1
InChIInChI=1S/C29H28N6O4.C27H25F3N4O4.C27H25N7O4.C26H26N4O4.C25H24N4O4.C24H20F3N5O4/c1-18(2)13-27(36)24-10-7-21(14-26(24)35-16-19(3)32-17-35)34-29(38)33-20-5-8-22(9-6-20)39-23-11-12-31-25(15-23)28(37)30-4;1-16(2)12-20(35)13-17-4-5-19(14-23(17)27(28,29)30)34-26(37)33-18-6-8-21(9-7-18)38-22-10-11-32-24(15-22)25(36)31-3;1-4-25(35)31-19-11-20(13-21(12-19)34-15-17(2)30-16-34)33-27(37)32-18-5-7-22(8-6-18)38-23-9-10-29-24(14-23)26(36)28-3;1-17(2)14-21(31)15-18-4-6-19(7-5-18)29-26(33)30-20-8-10-22(11-9-20)34-23-12-13-28-24(16-23)25(32)27-3;1-16(2)14-23(30)17-4-6-18(7-5-17)28-25(32)29-19-8-10-20(11-9-19)33-21-12-13-27-22(15-21)24(31)26-3;1-3-21(33)30-16-10-14(24(25,26)27)11-17(12-16)32-23(35)31-15-4-6-18(7-5-15)36-19-8-9-29-20(13-19)22(34)28-2/h5-17H,1-4H3,(H,30,37)(H2,33,34,38);4-12,14-15H,13H2,1-3H3,(H,31,36)(H2,33,34,37);4-16H,1H2,2-3H3,(H,28,36)(H,31,35)(H2,32,33,37);4-14,16H,15H2,1-3H3,(H,27,32)(H2,29,30,33);4-15H,1-3H3,(H,26,31)(H2,28,29,32);3-13H,1H2,2H3,(H,28,34)(H,30,33)(H2,31,32,35)
InChIKeyAGHFMIUPHPDTII-UHFFFAOYSA-N
XLogP30.99
TPSA716.22 Ų
H-Bond Donors20
H-Bond Acceptors34
Rotatable Bonds46
Heavy Atoms218
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002965.10
LogP ≤ 530.99
H-Bond Donors ≤ 520
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

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

Analyze N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)-3-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(4-methylimidazol-1-yl)-5-(prop-2-enoylamino)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide with MolForge

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Related Compounds

4-[4-[[4-[[2-amino-5-[2-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]quinazolin-7-yl]methyl]-3-[2-[2-[7-[2-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl]ethynyl]quinazolin-4-yl]quinazolin-5-yl]ethynyl]benzoyl]amino]phenoxy]-N-methylpyridine-2-carboxamide
CID 123346866
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-amine;5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-N-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-4-amine;[4-[[5-fluoro-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]pyrimidin-4-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 157051306
4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide;4-[(4,7-difluoro-2-methyl-1H-indol-5-yl)oxy]-N-ethyl-N-methyl-6-[[5-(piperazin-1-ylmethyl)-2-pyridinyl]amino]pyrimidine-5-carboxamide
CID 157133630
6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoropyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoro-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[6-[[6-[(4,7-difluoro-2-methyl-1H-inden-5-yl)oxy]-5-fluoropyrimidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 157246169
1-[4-[(2-anilino-5-fluoropyrimidin-4-yl)amino]phenyl]-3-methylbut-2-en-1-one;5-[3-[(2-anilino-5-methylpyrimidin-4-yl)amino]phenyl]pent-1-en-3-one;1-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;N-[3-[[5-fluoro-2-[3-(3-imidazol-1-ylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[[5-fluoro-2-[3-(trifluoromethoxy)anilino]pyrimidin-4-yl]amino]phenyl]-2-methylprop-2-en-1-one
CID 157260814
N-[4-(1,1-difluoroethoxy)phenyl]-5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-[4-ethynyl-3-(trifluoromethyl)phenyl]-2-methylpyridine-3-carboxamide;5-[3-(2,3-difluorophenyl)imidazo[1,5-a]pyridin-8-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)pyridine-3-carboxamide;5-[3-(2-fluorophenyl)imidazo[1,5-a]pyridin-8-yl]-2-methyl-N-(4-methylphenyl)pyridine-3-carboxamide
CID 157322814
4-[3-fluoro-4-[[2-fluoro-5-(2-fluoropropan-2-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[[2-fluoro-5-(1,1,2,2,3,3-hexafluorobutyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[[2-fluoro-5-(2,3,3-trifluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[3-fluoro-4-[[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,3,3,4,4,4-hexafluorobutan-2-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[4-(1,1,1,2-tetrafluoropropan-2-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 157425490
N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[3-(4-methylimidazol-1-yl)-5-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrimidin-4-amine;6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyano-N-[5-(piperazin-1-ylmethyl)-2-pyridinyl]pyrimidin-4-amine;[6-[[6-[(4-fluoro-2-methyl-1H-inden-5-yl)oxy]-5-isocyanopyrimidin-4-yl]amino]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
CID 157582887
N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[[5-[(4-methylpiperazin-1-yl)methyl]-2-pyridinyl]amino]pyrimidine-5-carboxamide;N-ethyl-4-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-N-methyl-6-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 157913213
3,3-dimethyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;3-methyl-1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]butan-1-one;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 157961305
1-[3-[[2-[3-[2-(dimethylamino)ethoxy]anilino]-5-fluoropyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;N-[3-[[5-fluoro-2-[3-(3-imidazol-1-ylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[[5-fluoro-2-[(6-methoxy-3-pyridinyl)amino]pyrimidin-4-yl]amino]pyrrolidin-1-yl]prop-2-en-1-one;N-[3-[[5-fluoro-2-[3-(3-morpholin-4-ylpropoxy)anilino]pyrimidin-4-yl]amino]phenyl]prop-2-enamide;1-[3-[[5-fluoro-2-(3-prop-2-ynoxyanilino)pyrimidin-4-yl]amino]phenyl]-3-methylbut-2-en-1-one;2-(3-methoxyanilino)-4-[3-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide;1-[(1S,3R)-3-[[2-(3-methoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]cyclohexyl]-3-methylbut-2-en-1-one;2-[(6-methoxy-3-pyridinyl)amino]-4-[3-(prop-2-enoylamino)anilino]pyrimidine-5-carboxamide
CID 157985476
N-tert-butyl-3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]benzamide;1-[3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]phenyl]-3-[3-(trifluoromethyl)phenyl]urea;3-[[5-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]amino]-N-propan-2-ylbenzamide;5-methyl-2-N-[4-(4-methylpiperazin-1-yl)phenyl]-4-N-(3-piperidin-4-ylphenyl)pyrimidine-2,4-diamine;5-methyl-4-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-N-(4-piperidin-4-yloxyphenyl)pyrimidine-2,4-diamine;[3-[[5-methyl-2-(4-piperidin-4-yloxyanilino)pyrimidin-4-yl]amino]phenyl]-pyrrolidin-1-ylmethanone
CID 158054632

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)-3-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(4-methylimidazol-1-yl)-5-(prop-2-enoylamino)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)-3-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(4-methylimidazol-1-yl)-5-(prop-2-enoylamino)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide (CID 157105838) is N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)-3-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(4-methylimidazol-1-yl)-5-(prop-2-enoylamino)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)-3-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(4-methylimidazol-1-yl)-5-(prop-2-enoylamino)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)-3-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(4-methylimidazol-1-yl)-5-(prop-2-enoylamino)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide is C=CC(=O)Nc1cc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc(-n2cnc(C)c2)c1.C=CC(=O)Nc1cc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc(C(F)(F)F)c1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(C(=O)C=C(C)C)c(-n4cnc(C)c4)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(C(=O)C=C(C)C)cc3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CC(=O)C=C(C)C)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CC(=O)C=C(C)C)cc3)cc2)ccn1.
What is the InChIKey of N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)-3-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(4-methylimidazol-1-yl)-5-(prop-2-enoylamino)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
The InChIKey is AGHFMIUPHPDTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N6O4.C27H25F3N4O4.C27H25N7O4.C26H26N4O4.C25H24N4O4.C24H20F3N5O4/c1-18(2)13-27(36)24-10-7-21(14-26(24)35-16-19(3)32-17-35)34-29(38)33-20-5-8-22(9-6-20)39-23-11-12-31-25(15-23)28(37)30-4;1-16(2)12-20(35)13-17-4-5-19(14-23(17)27(28,29)30)34-26(37)33-18-6-8-21(9-7-18)38-22-10-11-32-24(15-22)25(36)31-3;1-4-25(35)31-19-11-20(13-21(12-19)34-15-17(2)30-16-34)33-27(37)32-18-5-7-22(8-6-18)38-23-9-10-29-24(14-23)26(36)28-3;1-17(2)14-21(31)15-18-4-6-19(7-5-18)29-26(33)30-20-8-10-22(11-9-20)34-23-12-13-28-24(16-23)25(32)27-3;1-16(2)14-23(30)17-4-6-18(7-5-17)28-25(32)29-19-8-10-20(11-9-19)33-21-12-13-27-22(15-21)24(31)26-3;1-3-21(33)30-16-10-14(24(25,26)27)11-17(12-16)32-23(35)31-15-4-6-18(7-5-15)36-19-8-9-29-20(13-19)22(34)28-2/h5-17H,1-4H3,(H,30,37)(H2,33,34,38);4-12,14-15H,13H2,1-3H3,(H,31,36)(H2,33,34,37);4-16H,1H2,2-3H3,(H,28,36)(H,31,35)(H2,32,33,37);4-14,16H,15H2,1-3H3,(H,27,32)(H2,29,30,33);4-15H,1-3H3,(H,26,31)(H2,28,29,32);3-13H,1H2,2H3,(H,28,34)(H,30,33)(H2,31,32,35).
What are the key properties of N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)-3-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(4-methylimidazol-1-yl)-5-(prop-2-enoylamino)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide?
N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)-3-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(4-methylimidazol-1-yl)-5-(prop-2-enoylamino)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide has a molecular weight of 2965.10 g/mol, XLogP of 30.99, 46 rotatable bonds, 20 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)-3-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(4-methylimidazol-1-yl)-5-(prop-2-enoylamino)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[3-(prop-2-enoylamino)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide is sourced from PubChem (CID 157105838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).