(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-ethyl-4-oxobut-2-enamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorophenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-(trifluoromethyl)phenyl]propanamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxobut-2-enamide;methyl 4-[3-[4-(dimethylamino)phenyl]propanoylamino]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate

C168H202F4N26O17 — CID 167584942

IUPAC(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-ethyl-4-oxobut-2-enamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorophenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-(trifluoromethyl)phenyl]propanamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxobut-2-enamide;methyl 4-[3-[4-(dimethylamino)phenyl]propanoylamino]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate
SMILESCCN(CCN(C)C)C(=O)/C=C\C(=O)N1CCC(Oc2ccc(-c3ccc(N(C)C)cc3)cn2)CC1.CN(C)c1ccc(CCC(=O)Nc2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)cc1.CN(C)c1ccc(CCC(=O)Nc2ccc(C(F)(F)F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)cc1.CN1CCN(CCNC(=O)/C=C\C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)CC1.COC(=O)c1ccc(NC(=O)CCc2ccc(N(C)C)cc2)c(C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)c1
InChIInChI=1S/C38H43N5O5.C37H40F3N5O3.C36H40FN5O3.C29H40N6O3.C28H39N5O3/c1-41(2)30-13-6-26(7-14-30)8-18-35(44)40-34-17-11-28(38(46)47-5)24-33(34)37(45)43-22-20-32(21-23-43)48-36-19-12-29(25-39-36)27-9-15-31(16-10-27)42(3)4;1-43(2)29-12-5-25(6-13-29)7-17-34(46)42-33-16-11-28(37(38,39)40)23-32(33)36(47)45-21-19-31(20-22-45)48-35-18-10-27(24-41-35)26-8-14-30(15-9-26)44(3)4;1-40(2)29-12-5-25(6-13-29)7-17-34(43)39-33-23-28(37)11-16-32(33)36(44)42-21-19-31(20-22-42)45-35-18-10-27(24-38-35)26-8-14-30(15-9-26)41(3)4;1-32(2)25-7-4-23(5-8-25)24-6-10-28(31-22-24)38-26-12-15-35(16-13-26)29(37)11-9-27(36)30-14-17-34-20-18-33(3)19-21-34;1-6-32(20-19-30(2)3)27(34)13-14-28(35)33-17-15-25(16-18-33)36-26-12-9-23(21-29-26)22-7-10-24(11-8-22)31(4)5/h6-7,9-17,19,24-25,32H,8,18,20-23H2,1-5H3,(H,40,44);5-6,8-16,18,23-24,31H,7,17,19-22H2,1-4H3,(H,42,46);5-6,8-16,18,23-24,31H,7,17,19-22H2,1-4H3,(H,39,43);4-11,22,26H,12-21H2,1-3H3,(H,30,36);7-14,21,25H,6,15-20H2,1-5H3/b;;;11-9-;14-13-
InChIKeyHRFKUQDMHPERKR-LPPRNVKLSA-N
MW2933.62 g/mol
LogP24.61
Rot. Bonds50

About (Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-ethyl-4-oxobut-2-enamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorophenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-(trifluoromethyl)phenyl]propanamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxobut-2-enamide;methyl 4-[3-[4-(dimethylamino)phenyl]propanoylamino]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate

(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-ethyl-4-oxobut-2-enamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorophenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-(trifluoromethyl)phenyl]propanamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxobut-2-enamide;methyl 4-[3-[4-(dimethylamino)phenyl]propanoylamino]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate (PubChem CID 167584942) has the molecular formula C168H202F4N26O17 and a molecular weight of 2933.62 g/mol. Its IUPAC name is (Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-ethyl-4-oxobut-2-enamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorophenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-(trifluoromethyl)phenyl]propanamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxobut-2-enamide;methyl 4-[3-[4-(dimethylamino)phenyl]propanoylamino]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate.

Molecular Properties

Compound Name(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-ethyl-4-oxobut-2-enamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorophenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-(trifluoromethyl)phenyl]propanamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxobut-2-enamide;methyl 4-[3-[4-(dimethylamino)phenyl]propanoylamino]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate
PubChem CID167584942
Molecular FormulaC168H202F4N26O17
Molecular Weight2933.62 g/mol
Exact Mass2931.57
IUPAC Name(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-ethyl-4-oxobut-2-enamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorophenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-(trifluoromethyl)phenyl]propanamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxobut-2-enamide;methyl 4-[3-[4-(dimethylamino)phenyl]propanoylamino]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate
SMILESCCN(CCN(C)C)C(=O)/C=C\C(=O)N1CCC(Oc2ccc(-c3ccc(N(C)C)cc3)cn2)CC1.CN(C)c1ccc(CCC(=O)Nc2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)cc1.CN(C)c1ccc(CCC(=O)Nc2ccc(C(F)(F)F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)cc1.CN1CCN(CCNC(=O)/C=C\C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)CC1.COC(=O)c1ccc(NC(=O)CCc2ccc(N(C)C)cc2)c(C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)c1
InChIInChI=1S/C38H43N5O5.C37H40F3N5O3.C36H40FN5O3.C29H40N6O3.C28H39N5O3/c1-41(2)30-13-6-26(7-14-30)8-18-35(44)40-34-17-11-28(38(46)47-5)24-33(34)37(45)43-22-20-32(21-23-43)48-36-19-12-29(25-39-36)27-9-15-31(16-10-27)42(3)4;1-43(2)29-12-5-25(6-13-29)7-17-34(46)42-33-16-11-28(37(38,39)40)23-32(33)36(47)45-21-19-31(20-22-45)48-35-18-10-27(24-41-35)26-8-14-30(15-9-26)44(3)4;1-40(2)29-12-5-25(6-13-29)7-17-34(43)39-33-23-28(37)11-16-32(33)36(44)42-21-19-31(20-22-42)45-35-18-10-27(24-38-35)26-8-14-30(15-9-26)41(3)4;1-32(2)25-7-4-23(5-8-25)24-6-10-28(31-22-24)38-26-12-15-35(16-13-26)29(37)11-9-27(36)30-14-17-34-20-18-33(3)19-21-34;1-6-32(20-19-30(2)3)27(34)13-14-28(35)33-17-15-25(16-18-33)36-26-12-9-23(21-29-26)22-7-10-24(11-8-22)31(4)5/h6-7,9-17,19,24-25,32H,8,18,20-23H2,1-5H3,(H,40,44);5-6,8-16,18,23-24,31H,7,17,19-22H2,1-4H3,(H,42,46);5-6,8-16,18,23-24,31H,7,17,19-22H2,1-4H3,(H,39,43);4-11,22,26H,12-21H2,1-3H3,(H,30,36);7-14,21,25H,6,15-20H2,1-5H3/b;;;11-9-;14-13-
InChIKeyHRFKUQDMHPERKR-LPPRNVKLSA-N
XLogP24.61
TPSA410.80 Ų
H-Bond Donors4
H-Bond Acceptors33
Rotatable Bonds50
Heavy Atoms215
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002933.62
LogP ≤ 524.61
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-ethyl-4-oxobut-2-enamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorophenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-(trifluoromethyl)phenyl]propanamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxobut-2-enamide;methyl 4-[3-[4-(dimethylamino)phenyl]propanoylamino]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate with MolForge

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Related Compounds

N-[3-[1-(2-fluoropyridine-3-carbonyl)piperidin-4-yl]oxy-4-methylphenyl]-4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzamide
CID 134133028
Pyridin-3-ylmethyl 4-[4-[3-(dimethylcarbamoyl)-4-[[6-methyl-2-[4-(trifluoromethyl)phenyl]pyridine-3-carbonyl]amino]phenyl]butanoyloxy]benzoate
CID 11629098
Methyl 4-[[4-[[6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carbonyl]amino]piperidin-1-yl]methyl]benzoate
CID 42629341
2-Methyl-4-[[4-[[6-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]oxypyridine-3-carbonyl]amino]piperidin-1-yl]methyl]benzoic acid
CID 118250062
N-[4-fluoro-5-[6-(oxan-4-yloxy)pyridin-3-yl]-2-[(3S,5R)-3,4,5-trimethylpiperazin-1-yl]phenyl]-6-methoxy-4-(trifluoromethyl)pyridine-3-carboxamide
CID 137376824
N-[2-(dimethylamino)ethyl]-3-(2-ethoxypyridin-3-yl)-6-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]-2-fluorobenzamide
CID 146361337
N-[2-(dimethylamino)ethyl]-5-(2-ethoxy-3-pyridinyl)-2-[(2R)-2-ethyl-4-[2-[ethyl(methyl)amino]-4-fluorobenzoyl]piperazin-1-yl]benzamide
CID 146361345
N-(2-aminoethyl)-5-(2-ethoxy-3-pyridinyl)-2-[(2R)-2-ethyl-4-(4-fluoro-2-piperidin-4-ylbenzoyl)piperazin-1-yl]benzamide
CID 146361367
N-(2-aminoethyl)-5-(2-ethoxypyridin-3-yl)-2-[(2R)-2-ethyl-4-[4-fluoro-2-(trifluoromethyl)benzoyl]piperazin-1-yl]benzamide
CID 146361369
6-[(2R)-4-[2-(difluoromethyl)-4-fluorobenzoyl]-2-ethylpiperazin-1-yl]-N-[2-(dimethylamino)ethyl]-3-(2-ethoxypyridin-3-yl)-2-fluorobenzamide
CID 146361420
3-(2-ethoxypyridin-3-yl)-6-[(2R)-2-ethyl-4-[6-methoxy-2-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]-2-fluoro-N-[(3R)-pyrrolidin-3-yl]benzamide
CID 146361455
N-(2-aminoethyl)-5-(2-ethoxypyridin-3-yl)-2-[(2R)-2-ethyl-4-[2-methoxy-6-(trifluoromethyl)pyridine-3-carbonyl]piperazin-1-yl]benzamide
CID 146361456

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-ethyl-4-oxobut-2-enamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorophenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-(trifluoromethyl)phenyl]propanamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxobut-2-enamide;methyl 4-[3-[4-(dimethylamino)phenyl]propanoylamino]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate?
The IUPAC name of (Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-ethyl-4-oxobut-2-enamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorophenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-(trifluoromethyl)phenyl]propanamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxobut-2-enamide;methyl 4-[3-[4-(dimethylamino)phenyl]propanoylamino]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate (CID 167584942) is (Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-ethyl-4-oxobut-2-enamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorophenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-(trifluoromethyl)phenyl]propanamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxobut-2-enamide;methyl 4-[3-[4-(dimethylamino)phenyl]propanoylamino]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate.
What is the SMILES notation for (Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-ethyl-4-oxobut-2-enamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorophenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-(trifluoromethyl)phenyl]propanamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxobut-2-enamide;methyl 4-[3-[4-(dimethylamino)phenyl]propanoylamino]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate?
The canonical SMILES for (Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-ethyl-4-oxobut-2-enamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorophenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-(trifluoromethyl)phenyl]propanamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxobut-2-enamide;methyl 4-[3-[4-(dimethylamino)phenyl]propanoylamino]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate is CCN(CCN(C)C)C(=O)/C=C\C(=O)N1CCC(Oc2ccc(-c3ccc(N(C)C)cc3)cn2)CC1.CN(C)c1ccc(CCC(=O)Nc2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)cc1.CN(C)c1ccc(CCC(=O)Nc2ccc(C(F)(F)F)cc2C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)cc1.CN1CCN(CCNC(=O)/C=C\C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)CC1.COC(=O)c1ccc(NC(=O)CCc2ccc(N(C)C)cc2)c(C(=O)N2CCC(Oc3ccc(-c4ccc(N(C)C)cc4)cn3)CC2)c1.
What is the InChIKey of (Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-ethyl-4-oxobut-2-enamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorophenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-(trifluoromethyl)phenyl]propanamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxobut-2-enamide;methyl 4-[3-[4-(dimethylamino)phenyl]propanoylamino]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate?
The InChIKey is HRFKUQDMHPERKR-LPPRNVKLSA-N. The full InChI is InChI=1S/C38H43N5O5.C37H40F3N5O3.C36H40FN5O3.C29H40N6O3.C28H39N5O3/c1-41(2)30-13-6-26(7-14-30)8-18-35(44)40-34-17-11-28(38(46)47-5)24-33(34)37(45)43-22-20-32(21-23-43)48-36-19-12-29(25-39-36)27-9-15-31(16-10-27)42(3)4;1-43(2)29-12-5-25(6-13-29)7-17-34(46)42-33-16-11-28(37(38,39)40)23-32(33)36(47)45-21-19-31(20-22-45)48-35-18-10-27(24-41-35)26-8-14-30(15-9-26)44(3)4;1-40(2)29-12-5-25(6-13-29)7-17-34(43)39-33-23-28(37)11-16-32(33)36(44)42-21-19-31(20-22-42)45-35-18-10-27(24-38-35)26-8-14-30(15-9-26)41(3)4;1-32(2)25-7-4-23(5-8-25)24-6-10-28(31-22-24)38-26-12-15-35(16-13-26)29(37)11-9-27(36)30-14-17-34-20-18-33(3)19-21-34;1-6-32(20-19-30(2)3)27(34)13-14-28(35)33-17-15-25(16-18-33)36-26-12-9-23(21-29-26)22-7-10-24(11-8-22)31(4)5/h6-7,9-17,19,24-25,32H,8,18,20-23H2,1-5H3,(H,40,44);5-6,8-16,18,23-24,31H,7,17,19-22H2,1-4H3,(H,42,46);5-6,8-16,18,23-24,31H,7,17,19-22H2,1-4H3,(H,39,43);4-11,22,26H,12-21H2,1-3H3,(H,30,36);7-14,21,25H,6,15-20H2,1-5H3/b;;;11-9-;14-13-.
What are the key properties of (Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-ethyl-4-oxobut-2-enamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorophenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-(trifluoromethyl)phenyl]propanamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxobut-2-enamide;methyl 4-[3-[4-(dimethylamino)phenyl]propanoylamino]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate?
(Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-ethyl-4-oxobut-2-enamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorophenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-(trifluoromethyl)phenyl]propanamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxobut-2-enamide;methyl 4-[3-[4-(dimethylamino)phenyl]propanoylamino]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate has a molecular weight of 2933.62 g/mol, XLogP of 24.61, 50 rotatable bonds, 4 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[2-(dimethylamino)ethyl]-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-ethyl-4-oxobut-2-enamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-5-fluorophenyl]propanamide;3-[4-(dimethylamino)phenyl]-N-[2-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]-4-(trifluoromethyl)phenyl]propanamide;(Z)-4-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]-N-[2-(4-methylpiperazin-1-yl)ethyl]-4-oxobut-2-enamide;methyl 4-[3-[4-(dimethylamino)phenyl]propanoylamino]-3-[4-[[5-[4-(dimethylamino)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzoate is sourced from PubChem (CID 167584942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).