[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide

C207H218F18N26O21 — CID 167578254

IUPAC[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
SMILESC=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3cccc(OC(F)(F)F)c3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccccc3OC(F)(F)F)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(N3CCOCC3)cn2)CC1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4cccc(OC(F)(F)F)c4)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccccc4OC(F)(F)F)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(N4CCOCC4)cn3)CC2)cc1
InChIInChI=1S/2C36H36F4N4O3.2C35H34F4N4O4.C33H40FN5O3.C32H38FN5O4/c1-24(41-18-15-25-7-11-29(12-8-25)43(2)3)32-13-10-28(37)22-33(32)35(45)44-19-16-30(17-20-44)46-34-14-9-27(23-42-34)26-5-4-6-31(21-26)47-36(38,39)40;1-24(41-19-16-25-8-12-28(13-9-25)43(2)3)30-14-11-27(37)22-32(30)35(45)44-20-17-29(18-21-44)46-34-15-10-26(23-42-34)31-6-4-5-7-33(31)47-36(38,39)40;1-42(2)27-10-6-23(7-11-27)14-17-40-33(44)31-21-26(36)9-12-30(31)34(45)43-18-15-28(16-19-43)46-32-13-8-25(22-41-32)24-4-3-5-29(20-24)47-35(37,38)39;1-42(2)26-11-7-23(8-12-26)15-18-40-33(44)30-21-25(36)10-13-29(30)34(45)43-19-16-27(17-20-43)46-32-14-9-24(22-41-32)28-5-3-4-6-31(28)47-35(37,38)39;1-24(35-15-12-25-4-7-27(8-5-25)37(2)3)30-10-6-26(34)22-31(30)33(40)39-16-13-29(14-17-39)42-32-11-9-28(23-36-32)38-18-20-41-21-19-38;1-36(2)25-6-3-23(4-7-25)11-14-34-31(39)29-21-24(33)5-9-28(29)32(40)38-15-12-27(13-16-38)42-30-10-8-26(22-35-30)37-17-19-41-20-18-37/h4-14,21-23,30,41H,1,15-20H2,2-3H3;4-15,22-23,29,41H,1,16-21H2,2-3H3;3-13,20-22,28H,14-19H2,1-2H3,(H,40,44);3-14,21-22,27H,15-20H2,1-2H3,(H,40,44);4-11,22-23,29,35H,1,12-21H2,2-3H3;3-10,21-22,27H,11-20H2,1-2H3,(H,34,39)
InChIKeyGVAYGPDTBJTFDW-UHFFFAOYSA-N
MW3748.15 g/mol
LogP36.08
Rot. Bonds61

About [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide

[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide (PubChem CID 167578254) has the molecular formula C207H218F18N26O21 and a molecular weight of 3748.15 g/mol. Its IUPAC name is [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
PubChem CID167578254
Molecular FormulaC207H218F18N26O21
Molecular Weight3748.15 g/mol
Exact Mass3745.65
IUPAC Name[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
SMILESC=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3cccc(OC(F)(F)F)c3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccccc3OC(F)(F)F)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(N3CCOCC3)cn2)CC1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4cccc(OC(F)(F)F)c4)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccccc4OC(F)(F)F)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(N4CCOCC4)cn3)CC2)cc1
InChIInChI=1S/2C36H36F4N4O3.2C35H34F4N4O4.C33H40FN5O3.C32H38FN5O4/c1-24(41-18-15-25-7-11-29(12-8-25)43(2)3)32-13-10-28(37)22-33(32)35(45)44-19-16-30(17-20-44)46-34-14-9-27(23-42-34)26-5-4-6-31(21-26)47-36(38,39)40;1-24(41-19-16-25-8-12-28(13-9-25)43(2)3)30-14-11-27(37)22-32(30)35(45)44-20-17-29(18-21-44)46-34-15-10-26(23-42-34)31-6-4-5-7-33(31)47-36(38,39)40;1-42(2)27-10-6-23(7-11-27)14-17-40-33(44)31-21-26(36)9-12-30(31)34(45)43-18-15-28(16-19-43)46-32-13-8-25(22-41-32)24-4-3-5-29(20-24)47-35(37,38)39;1-42(2)26-11-7-23(8-12-26)15-18-40-33(44)30-21-25(36)10-13-29(30)34(45)43-19-16-27(17-20-43)46-32-14-9-24(22-41-32)28-5-3-4-6-31(28)47-35(37,38)39;1-24(35-15-12-25-4-7-27(8-5-25)37(2)3)30-10-6-26(34)22-31(30)33(40)39-16-13-29(14-17-39)42-32-11-9-28(23-36-32)38-18-20-41-21-19-38;1-36(2)25-6-3-23(4-7-25)11-14-34-31(39)29-21-24(33)5-9-28(29)32(40)38-15-12-27(13-16-38)42-30-10-8-26(22-35-30)37-17-19-41-20-18-37/h4-14,21-23,30,41H,1,15-20H2,2-3H3;4-15,22-23,29,41H,1,16-21H2,2-3H3;3-13,20-22,28H,14-19H2,1-2H3,(H,40,44);3-14,21-22,27H,15-20H2,1-2H3,(H,40,44);4-11,22-23,29,35H,1,12-21H2,2-3H3;3-10,21-22,27H,11-20H2,1-2H3,(H,34,39)
InChIKeyGVAYGPDTBJTFDW-UHFFFAOYSA-N
XLogP36.08
TPSA459.27 Ų
H-Bond Donors6
H-Bond Acceptors38
Rotatable Bonds61
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003748.15
LogP ≤ 536.08
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1038

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide with MolForge

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Launch Full Analysis

Related Compounds

3-[[3-(2-ethyl-4-pyridinyl)-2-pyridinyl]oxy]-4-methyl-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 58396763
4-methyl-3-[[3-[2-(4-morpholin-4-ylbutyl)-4-pyridinyl]-2-pyridinyl]oxy]-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]benzamide
CID 58397260
N-[5-[6-(1-acetylpiperidin-4-yl)oxy-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 118887128
[4-[ethyl-[2-[2-[[6-fluoro-2-(pyridine-4-carbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]-5-methyl-4-pyridinyl]ethyl]amino]phenyl]-[6-fluoro-3-[(5-methyl-2-pyridinyl)oxymethyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 123194167
3-(1,1-difluoroethyl)-N-(3-pyridin-3-yloxyphenyl)benzamide;3-ethynyl-N-(3-pyridin-3-yloxyphenyl)benzamide;4-fluoro-3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methoxy-N-(3-pyridin-3-yloxyphenyl)benzamide;3-methyl-N-(3-pyridin-3-yloxyphenyl)benzamide
CID 123219772
4-fluoro-N-[4-[4-[1-[4-[(4-fluorobenzoyl)amino]-4-[4-[1-[4-[(4-fluorobenzoyl)amino]-4-[4-(4-methyl-3-pyridinyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-8-yl]-2-methoxypyridin-1-ium-3-yl]phenyl]-2,3-dihydropyrano[3,2-b]pyridin-8-yl]-4-methoxypyridin-1-ium-3-yl]phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
CID 123229581
N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(1,1,2,2-tetrafluoroethoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(2,2,3,3-tetrafluoropropoxy)phenyl]-2-phenylethyl]-4-methyl-3-(trifluoromethyl)benzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[3-fluoro-5-(trifluoromethyl)phenyl]-2-(2-methoxyphenyl)ethyl]-4-fluoro-3-(trifluoromethyl)benzamide;N-[(1R)-1-(5-chloro-2-pyridinyl)-1-[2-methoxy-5-(trifluoromethyl)phenyl]-2-phenylethyl]-3-(1,1-difluoroethyl)-4-fluorobenzamide;N-[(1S)-1-(5-chloro-2-pyridinyl)-1-[2-methyl-5-(trifluoromethyl)phenyl]-2-phenylethyl]-4-fluoro-3-(trifluoromethyl)benzamide
CID 123665839
2-(1,1-difluoroethyl)-N-[3-[(9S,10S)-9-[4-[4-[[3-[(9R,10R)-9-ethyl-8,12-dioxa-1,5,6-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]-4-methylphenyl]carbamoyl]pyridin-2-yl]-4,4-difluorobutan-2-yl]-8,12-dioxa-1,5,6-triazatricyclo[8.4.0.02,7]tetradeca-2,4,6-trien-4-yl]-4-methylphenyl]pyridine-4-carboxamide
CID 129272086
N-[5-[6-[[4-[2-[1-[4-[2-(2-cyanopropan-2-yl)-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]pyridin-3-yl]pyridin-3-yl]morpholin-2-yl]azetidin-3-yl]oxy-5-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]pyridin-3-yl]pyridin-3-yl]morpholin-2-yl]methoxy]-5-morpholin-4-ylpyridin-3-yl]-6-methylpyridin-3-yl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 130425796
N-[3-[6-[2-[4-[6-[5-[[3-(difluoromethyl)benzoyl]amino]-2-methylphenyl]-3-ethoxypyridazin-4-yl]morpholin-2-yl]ethoxy]-5-morpholin-4-ylpyridazin-3-yl]-4-methylphenyl]-2-(1,1-difluoropropyl)pyridine-4-carboxamide
CID 130425815
N-[5-methyl-6-[4-[2-[2-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]phenyl]phenyl]butoxy]pyridin-3-yl]-2-pyridin-2-ylbenzamide
CID 141873733
N-[6-[[2-[2-(4-fluorophenyl)phenyl]-3,4-dihydro-2H-chromen-6-yl]oxy]-3-pyridinyl]-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 142776811

Frequently Asked Questions

What is the IUPAC name of [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
The IUPAC name of [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide (CID 167578254) is [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide.
What is the SMILES notation for [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
The canonical SMILES for [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide is C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3cccc(OC(F)(F)F)c3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccccc3OC(F)(F)F)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(N3CCOCC3)cn2)CC1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4cccc(OC(F)(F)F)c4)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccccc4OC(F)(F)F)cn3)CC2)cc1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(N4CCOCC4)cn3)CC2)cc1.
What is the InChIKey of [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
The InChIKey is GVAYGPDTBJTFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C36H36F4N4O3.2C35H34F4N4O4.C33H40FN5O3.C32H38FN5O4/c1-24(41-18-15-25-7-11-29(12-8-25)43(2)3)32-13-10-28(37)22-33(32)35(45)44-19-16-30(17-20-44)46-34-14-9-27(23-42-34)26-5-4-6-31(21-26)47-36(38,39)40;1-24(41-19-16-25-8-12-28(13-9-25)43(2)3)30-14-11-27(37)22-32(30)35(45)44-20-17-29(18-21-44)46-34-15-10-26(23-42-34)31-6-4-5-7-33(31)47-36(38,39)40;1-42(2)27-10-6-23(7-11-27)14-17-40-33(44)31-21-26(36)9-12-30(31)34(45)43-18-15-28(16-19-43)46-32-13-8-25(22-41-32)24-4-3-5-29(20-24)47-35(37,38)39;1-42(2)26-11-7-23(8-12-26)15-18-40-33(44)30-21-25(36)10-13-29(30)34(45)43-19-16-27(17-20-43)46-32-14-9-24(22-41-32)28-5-3-4-6-31(28)47-35(37,38)39;1-24(35-15-12-25-4-7-27(8-5-25)37(2)3)30-10-6-26(34)22-31(30)33(40)39-16-13-29(14-17-39)42-32-11-9-28(23-36-32)38-18-20-41-21-19-38;1-36(2)25-6-3-23(4-7-25)11-14-34-31(39)29-21-24(33)5-9-28(29)32(40)38-15-12-27(13-16-38)42-30-10-8-26(22-35-30)37-17-19-41-20-18-37/h4-14,21-23,30,41H,1,15-20H2,2-3H3;4-15,22-23,29,41H,1,16-21H2,2-3H3;3-13,20-22,28H,14-19H2,1-2H3,(H,40,44);3-14,21-22,27H,15-20H2,1-2H3,(H,40,44);4-11,22-23,29,35H,1,12-21H2,2-3H3;3-10,21-22,27H,11-20H2,1-2H3,(H,34,39).
What are the key properties of [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide has a molecular weight of 3748.15 g/mol, XLogP of 36.08, 61 rotatable bonds, 6 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[(5-morpholin-4-yl-2-pyridinyl)oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 167578254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).