(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-[1-(2-fluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide

C137H150ClF4N31O15 — CID 157375358

IUPAC(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-[1-(2-fluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2nccc(-c3c(C)n(C)c4ccccc34)n2)c(OC)cc1OCCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3c4ccccc4nn3C)n2)c(OC)cc1OCCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cn(CCF)c4ccccc34)n2)c(OC)cc1OCCN(C)C.COc1cc(OCCN(C)C)c(NC(=O)/C=C/C(F)(F)F)cc1Nc1nccc(-c2cn(C)c3ccccc23)n1.COc1cc(OCCN(C)C)c(NC(=O)/C=C/Cl)cc1Nc1nccc(-c2cn(C)c3ccccc23)n1
InChIInChI=1S/C28H29F3N6O3.C28H31FN6O3.C28H32N6O3.C27H29ClN6O3.C26H29N7O3/c1-36(2)13-14-40-25-16-24(39-4)21(15-22(25)33-26(38)9-11-28(29,30)31)35-27-32-12-10-20(34-27)19-17-37(3)23-8-6-5-7-18(19)23;1-5-27(36)31-23-16-22(25(37-4)17-26(23)38-15-14-34(2)3)33-28-30-12-10-21(32-28)20-18-35(13-11-29)24-9-7-6-8-19(20)24;1-7-26(35)30-22-16-21(24(36-6)17-25(22)37-15-14-33(3)4)32-28-29-13-12-20(31-28)27-18(2)34(5)23-11-9-8-10-19(23)27;1-33(2)13-14-37-25-16-24(36-4)21(15-22(25)30-26(35)9-11-28)32-27-29-12-10-20(31-27)19-17-34(3)23-8-6-5-7-18(19)23;1-6-24(34)28-21-15-20(22(35-5)16-23(21)36-14-13-32(2)3)30-26-27-12-11-19(29-26)25-17-9-7-8-10-18(17)31-33(25)4/h5-12,15-17H,13-14H2,1-4H3,(H,33,38)(H,32,34,35);5-10,12,16-18H,1,11,13-15H2,2-4H3,(H,31,36)(H,30,32,33);7-13,16-17H,1,14-15H2,2-6H3,(H,30,35)(H,29,31,32);5-12,15-17H,13-14H2,1-4H3,(H,30,35)(H,29,31,32);6-12,15-16H,1,13-14H2,2-5H3,(H,28,34)(H,27,29,30)/b11-9+;;;11-9+;
InChIKeyBKGMXUOUKLNUKA-UKFBXJNUSA-N
MW2582.35 g/mol
LogP23.90
Rot. Bonds52

About (E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-[1-(2-fluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide

(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-[1-(2-fluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide (PubChem CID 157375358) has the molecular formula C137H150ClF4N31O15 and a molecular weight of 2582.35 g/mol. Its IUPAC name is (E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-[1-(2-fluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide.

Molecular Properties

Compound Name(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-[1-(2-fluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide
PubChem CID157375358
Molecular FormulaC137H150ClF4N31O15
Molecular Weight2582.35 g/mol
Exact Mass2580.16
IUPAC Name(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-[1-(2-fluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide
SMILESC=CC(=O)Nc1cc(Nc2nccc(-c3c(C)n(C)c4ccccc34)n2)c(OC)cc1OCCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3c4ccccc4nn3C)n2)c(OC)cc1OCCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cn(CCF)c4ccccc34)n2)c(OC)cc1OCCN(C)C.COc1cc(OCCN(C)C)c(NC(=O)/C=C/C(F)(F)F)cc1Nc1nccc(-c2cn(C)c3ccccc23)n1.COc1cc(OCCN(C)C)c(NC(=O)/C=C/Cl)cc1Nc1nccc(-c2cn(C)c3ccccc23)n1
InChIInChI=1S/C28H29F3N6O3.C28H31FN6O3.C28H32N6O3.C27H29ClN6O3.C26H29N7O3/c1-36(2)13-14-40-25-16-24(39-4)21(15-22(25)33-26(38)9-11-28(29,30)31)35-27-32-12-10-20(34-27)19-17-37(3)23-8-6-5-7-18(19)23;1-5-27(36)31-23-16-22(25(37-4)17-26(23)38-15-14-34(2)3)33-28-30-12-10-21(32-28)20-18-35(13-11-29)24-9-7-6-8-19(20)24;1-7-26(35)30-22-16-21(24(36-6)17-25(22)37-15-14-33(3)4)32-28-29-13-12-20(31-28)27-18(2)34(5)23-11-9-8-10-19(23)27;1-33(2)13-14-37-25-16-24(36-4)21(15-22(25)30-26(35)9-11-28)32-27-29-12-10-20(31-27)19-17-34(3)23-8-6-5-7-18(19)23;1-6-24(34)28-21-15-20(22(35-5)16-23(21)36-14-13-32(2)3)30-26-27-12-11-19(29-26)25-17-9-7-8-10-18(17)31-33(25)4/h5-12,15-17H,13-14H2,1-4H3,(H,33,38)(H,32,34,35);5-10,12,16-18H,1,11,13-15H2,2-4H3,(H,31,36)(H,30,32,33);7-13,16-17H,1,14-15H2,2-6H3,(H,30,35)(H,29,31,32);5-12,15-17H,13-14H2,1-4H3,(H,30,35)(H,29,31,32);6-12,15-16H,1,13-14H2,2-5H3,(H,28,34)(H,27,29,30)/b11-9+;;;11-9+;
InChIKeyBKGMXUOUKLNUKA-UKFBXJNUSA-N
XLogP23.90
TPSA480.59 Ų
H-Bond Donors10
H-Bond Acceptors41
Rotatable Bonds52
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002582.35
LogP ≤ 523.90
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze (E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-[1-(2-fluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide with MolForge

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Related Compounds

N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]prop-2-enamide
CID 146498272
(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-[1-(2-fluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide
CID 157061010
4-(3-benzyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethylpyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-1,5,7-trimethylpyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-(2-morpholin-4-ylethyl)pyrrolo[3,4-d]pyridazin-4-amine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-4-(4-phenyl-1,4-diazepan-1-yl)pyrrolo[3,4-d]pyridazine;6-(4-ethoxy-2-methoxyphenyl)-1,5,7-trimethyl-N-[4-(trifluoromethoxy)phenyl]pyrrolo[3,4-d]pyridazin-4-amine
CID 157078987
(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide
CID 157131582
2-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide
CID 157524777
2-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide
CID 157767414
2-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethylsulfanyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide
CID 158033963
2-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-3-chloro-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-2-fluoroprop-2-enamide;(E)-N-[2,4-dimethoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide
CID 158780974
N-[5-amino-2-[2-(dimethylamino)ethoxy]-4-methoxyphenyl]prop-2-enamide;tert-butyl N-[4-[2-(dimethylamino)ethoxy]-2-methoxy-5-(prop-2-enoylamino)phenyl]carbamate;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl]amino]phenyl]prop-2-enamide;[7-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-2-yl] trifluoromethanesulfonate
CID 159012358
2-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide
CID 159147796
2-chloro-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide;(E)-N-[2-[3-(dimethylamino)propyl]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide
CID 159460276
2-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-2-fluoroprop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]-4,4,4-trifluorobut-2-enamide
CID 159691365

Frequently Asked Questions

What is the IUPAC name of (E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-[1-(2-fluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide?
The IUPAC name of (E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-[1-(2-fluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide (CID 157375358) is (E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-[1-(2-fluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide.
What is the SMILES notation for (E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-[1-(2-fluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide?
The canonical SMILES for (E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-[1-(2-fluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide is C=CC(=O)Nc1cc(Nc2nccc(-c3c(C)n(C)c4ccccc34)n2)c(OC)cc1OCCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3c4ccccc4nn3C)n2)c(OC)cc1OCCN(C)C.C=CC(=O)Nc1cc(Nc2nccc(-c3cn(CCF)c4ccccc34)n2)c(OC)cc1OCCN(C)C.COc1cc(OCCN(C)C)c(NC(=O)/C=C/C(F)(F)F)cc1Nc1nccc(-c2cn(C)c3ccccc23)n1.COc1cc(OCCN(C)C)c(NC(=O)/C=C/Cl)cc1Nc1nccc(-c2cn(C)c3ccccc23)n1.
What is the InChIKey of (E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-[1-(2-fluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide?
The InChIKey is BKGMXUOUKLNUKA-UKFBXJNUSA-N. The full InChI is InChI=1S/C28H29F3N6O3.C28H31FN6O3.C28H32N6O3.C27H29ClN6O3.C26H29N7O3/c1-36(2)13-14-40-25-16-24(39-4)21(15-22(25)33-26(38)9-11-28(29,30)31)35-27-32-12-10-20(34-27)19-17-37(3)23-8-6-5-7-18(19)23;1-5-27(36)31-23-16-22(25(37-4)17-26(23)38-15-14-34(2)3)33-28-30-12-10-21(32-28)20-18-35(13-11-29)24-9-7-6-8-19(20)24;1-7-26(35)30-22-16-21(24(36-6)17-25(22)37-15-14-33(3)4)32-28-29-13-12-20(31-28)27-18(2)34(5)23-11-9-8-10-19(23)27;1-33(2)13-14-37-25-16-24(36-4)21(15-22(25)30-26(35)9-11-28)32-27-29-12-10-20(31-27)19-17-34(3)23-8-6-5-7-18(19)23;1-6-24(34)28-21-15-20(22(35-5)16-23(21)36-14-13-32(2)3)30-26-27-12-11-19(29-26)25-17-9-7-8-10-18(17)31-33(25)4/h5-12,15-17H,13-14H2,1-4H3,(H,33,38)(H,32,34,35);5-10,12,16-18H,1,11,13-15H2,2-4H3,(H,31,36)(H,30,32,33);7-13,16-17H,1,14-15H2,2-6H3,(H,30,35)(H,29,31,32);5-12,15-17H,13-14H2,1-4H3,(H,30,35)(H,29,31,32);6-12,15-16H,1,13-14H2,2-5H3,(H,28,34)(H,27,29,30)/b11-9+;;;11-9+;.
What are the key properties of (E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-[1-(2-fluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide?
(E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-[1-(2-fluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide has a molecular weight of 2582.35 g/mol, XLogP of 23.90, 52 rotatable bonds, 10 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-chloro-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-(1,2-dimethylindol-3-yl)pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-5-[[4-[1-(2-fluoroethyl)indol-3-yl]pyrimidin-2-yl]amino]-4-methoxyphenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]phenyl]prop-2-enamide;(E)-N-[2-[2-(dimethylamino)ethoxy]-4-methoxy-5-[[4-(1-methylindol-3-yl)pyrimidin-2-yl]amino]phenyl]-4,4,4-trifluorobut-2-enamide is sourced from PubChem (CID 157375358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).