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

C222H244F6N26O18 — CID 167669587

IUPAC[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
SMILESC=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(C)cc3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(C)cc3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(CN4CCOCC4)cc3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(OC)cc3)cn2)CC1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccc(CN5CCOCC5)cc4)cn3)CC2)cc1.COc1ccc(-c2ccc(OC3CCN(C(=O)c4ccc(F)cc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)cc1
InChIInChI=1S/C40H46FN5O3.C39H44FN5O4.C36H39FN4O3.2C36H39FN4O2.C35H37FN4O4/c1-29(42-19-16-30-6-12-35(13-7-30)44(2)3)37-14-11-34(41)26-38(37)40(47)46-20-17-36(18-21-46)49-39-15-10-33(27-43-39)32-8-4-31(5-9-32)28-45-22-24-48-25-23-45;1-43(2)33-11-5-28(6-12-33)15-18-41-38(46)36-25-32(40)10-13-35(36)39(47)45-19-16-34(17-20-45)49-37-14-9-31(26-42-37)30-7-3-29(4-8-30)27-44-21-23-48-24-22-44;1-25(38-20-17-26-5-11-30(12-6-26)40(2)3)33-15-10-29(37)23-34(33)36(42)41-21-18-32(19-22-41)44-35-16-9-28(24-39-35)27-7-13-31(43-4)14-8-27;2*1-25-5-9-28(10-6-25)29-11-16-35(39-24-29)43-32-18-21-41(22-19-32)36(42)34-23-30(37)12-15-33(34)26(2)38-20-17-27-7-13-31(14-8-27)40(3)4;1-39(2)28-10-4-24(5-11-28)16-19-37-34(41)32-22-27(36)9-14-31(32)35(42)40-20-17-30(18-21-40)44-33-15-8-26(23-38-33)25-6-12-29(43-3)13-7-25/h4-15,26-27,36,42H,1,16-25,28H2,2-3H3;3-14,25-26,34H,15-24,27H2,1-2H3,(H,41,46);5-16,23-24,32,38H,1,17-22H2,2-4H3;2*5-16,23-24,32,38H,2,17-22H2,1,3-4H3;4-15,22-23,30H,16-21H2,1-3H3,(H,37,41)
InChIKeyTXEYKNIIIMPCAR-UHFFFAOYSA-N
MW3678.55 g/mol
LogP37.28
Rot. Bonds64

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

[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide (PubChem CID 167669587) has the molecular formula C222H244F6N26O18 and a molecular weight of 3678.55 g/mol. Its IUPAC name is [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide.

Molecular Properties

Compound Name[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
PubChem CID167669587
Molecular FormulaC222H244F6N26O18
Molecular Weight3678.55 g/mol
Exact Mass3675.89
IUPAC Name[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
SMILESC=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(C)cc3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(C)cc3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(CN4CCOCC4)cc3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(OC)cc3)cn2)CC1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccc(CN5CCOCC5)cc4)cn3)CC2)cc1.COc1ccc(-c2ccc(OC3CCN(C(=O)c4ccc(F)cc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)cc1
InChIInChI=1S/C40H46FN5O3.C39H44FN5O4.C36H39FN4O3.2C36H39FN4O2.C35H37FN4O4/c1-29(42-19-16-30-6-12-35(13-7-30)44(2)3)37-14-11-34(41)26-38(37)40(47)46-20-17-36(18-21-46)49-39-15-10-33(27-43-39)32-8-4-31(5-9-32)28-45-22-24-48-25-23-45;1-43(2)33-11-5-28(6-12-33)15-18-41-38(46)36-25-32(40)10-13-35(36)39(47)45-19-16-34(17-20-45)49-37-14-9-31(26-42-37)30-7-3-29(4-8-30)27-44-21-23-48-24-22-44;1-25(38-20-17-26-5-11-30(12-6-26)40(2)3)33-15-10-29(37)23-34(33)36(42)41-21-18-32(19-22-41)44-35-16-9-28(24-39-35)27-7-13-31(43-4)14-8-27;2*1-25-5-9-28(10-6-25)29-11-16-35(39-24-29)43-32-18-21-41(22-19-32)36(42)34-23-30(37)12-15-33(34)26(2)38-20-17-27-7-13-31(14-8-27)40(3)4;1-39(2)28-10-4-24(5-11-28)16-19-37-34(41)32-22-27(36)9-14-31(32)35(42)40-20-17-30(18-21-40)44-33-15-8-26(23-38-33)25-6-12-29(43-3)13-7-25/h4-15,26-27,36,42H,1,16-25,28H2,2-3H3;3-14,25-26,34H,15-24,27H2,1-2H3,(H,41,46);5-16,23-24,32,38H,1,17-22H2,2-4H3;2*5-16,23-24,32,38H,2,17-22H2,1,3-4H3;4-15,22-23,30H,16-21H2,1-3H3,(H,37,41)
InChIKeyTXEYKNIIIMPCAR-UHFFFAOYSA-N
XLogP37.28
TPSA423.74 Ų
H-Bond Donors6
H-Bond Acceptors36
Rotatable Bonds64
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003678.55
LogP ≤ 537.28
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1036

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

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Related Compounds

[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
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-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-[2-[[4-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-3-fluorophenoxy]methyl]morpholin-4-yl]ethyl]-6-methyl-2-(4-morpholin-4-ylphenyl)indolizine-7-carboxamide
CID 139394995
ethane;N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide;2,2,2-trifluoro-N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]acetamide
CID 144675056
[4-[ethyl-[2-[2-[[(3S)-6-fluoro-2-(pyridine-4-carbonyl)-3,4-dihydro-1H-isoquinolin-3-yl]methoxy]-5-methyl-4-pyridinyl]ethyl]amino]phenyl]-[(3S)-6-fluoro-3-[(5-methyl-2-pyridinyl)oxymethyl]-3,4-dihydro-1H-isoquinolin-2-yl]methanone
CID 144882620
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 156155798
N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 156155808
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 156155823
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(4-methylpiperazin-1-yl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 156155828
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[2-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 156155840
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 156155841
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-fluoro-2-[4-[[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide
CID 156155845

Frequently Asked Questions

What is the IUPAC name of [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
The IUPAC name of [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide (CID 167669587) is [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)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-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
The canonical SMILES for [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide is C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(C)cc3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(C)cc3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(CN4CCOCC4)cc3)cn2)CC1.C=C(NCCc1ccc(N(C)C)cc1)c1ccc(F)cc1C(=O)N1CCC(Oc2ccc(-c3ccc(OC)cc3)cn2)CC1.CN(C)c1ccc(CCNC(=O)c2cc(F)ccc2C(=O)N2CCC(Oc3ccc(-c4ccc(CN5CCOCC5)cc4)cn3)CC2)cc1.COc1ccc(-c2ccc(OC3CCN(C(=O)c4ccc(F)cc4C(=O)NCCc4ccc(N(C)C)cc4)CC3)nc2)cc1.
What is the InChIKey of [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
The InChIKey is TXEYKNIIIMPCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H46FN5O3.C39H44FN5O4.C36H39FN4O3.2C36H39FN4O2.C35H37FN4O4/c1-29(42-19-16-30-6-12-35(13-7-30)44(2)3)37-14-11-34(41)26-38(37)40(47)46-20-17-36(18-21-46)49-39-15-10-33(27-43-39)32-8-4-31(5-9-32)28-45-22-24-48-25-23-45;1-43(2)33-11-5-28(6-12-33)15-18-41-38(46)36-25-32(40)10-13-35(36)39(47)45-19-16-34(17-20-45)49-37-14-9-31(26-42-37)30-7-3-29(4-8-30)27-44-21-23-48-24-22-44;1-25(38-20-17-26-5-11-30(12-6-26)40(2)3)33-15-10-29(37)23-34(33)36(42)41-21-18-32(19-22-41)44-35-16-9-28(24-39-35)27-7-13-31(43-4)14-8-27;2*1-25-5-9-28(10-6-25)29-11-16-35(39-24-29)43-32-18-21-41(22-19-32)36(42)34-23-30(37)12-15-33(34)26(2)38-20-17-27-7-13-31(14-8-27)40(3)4;1-39(2)28-10-4-24(5-11-28)16-19-37-34(41)32-22-27(36)9-14-31(32)35(42)40-20-17-30(18-21-40)44-33-15-8-26(23-38-33)25-6-12-29(43-3)13-7-25/h4-15,26-27,36,42H,1,16-25,28H2,2-3H3;3-14,25-26,34H,15-24,27H2,1-2H3,(H,41,46);5-16,23-24,32,38H,1,17-22H2,2-4H3;2*5-16,23-24,32,38H,2,17-22H2,1,3-4H3;4-15,22-23,30H,16-21H2,1-3H3,(H,37,41).
What are the key properties of [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide?
[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide has a molecular weight of 3678.55 g/mol, XLogP of 37.28, 64 rotatable bonds, 6 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone;bis([2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-(4-methylphenyl)-2-pyridinyl]oxy]piperidin-1-yl]methanone);[2-[1-[2-[4-(dimethylamino)phenyl]ethylamino]ethenyl]-5-fluorophenyl]-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidin-1-yl]methanone;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-(4-methoxyphenyl)-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide;N-[2-[4-(dimethylamino)phenyl]ethyl]-5-fluoro-2-[4-[[5-[4-(morpholin-4-ylmethyl)phenyl]-2-pyridinyl]oxy]piperidine-1-carbonyl]benzamide is sourced from PubChem (CID 167669587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).