4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide

C130H108F12N12O18 — CID 159396644

IUPAC4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide
SMILESC=C(C(=O)N1CCOCC1)C(O)c1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F.C=C(Cn1cccn1)C(=O)Nc1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F.C=CC(=O)CCc1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F.CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(CC(=O)C=C(C)C)c(C(F)(F)F)c4)cccc23)ccn1
InChIInChI=1S/C34H30F3N3O6.C33H26F3N5O4.C32H27F3N2O4.C31H25F3N2O4/c1-20(33(44)40-13-15-45-16-14-40)31(42)26-10-9-21(17-27(26)34(35,36)37)18-29(41)24-6-3-7-25-23(24)5-4-8-30(25)46-22-11-12-39-28(19-22)32(43)38-2;1-20(19-41-15-5-13-39-41)31(43)40-27-11-10-21(16-26(27)33(34,35)36)17-29(42)24-7-3-8-25-23(24)6-4-9-30(25)45-22-12-14-38-28(18-22)32(44)37-2;1-19(2)14-22(38)17-21-11-10-20(15-27(21)32(33,34)35)16-29(39)25-7-4-8-26-24(25)6-5-9-30(26)41-23-12-13-37-28(18-23)31(40)36-3;1-3-21(37)13-12-20-11-10-19(16-26(20)31(32,33)34)17-28(38)24-7-4-8-25-23(24)6-5-9-29(25)40-22-14-15-36-27(18-22)30(39)35-2/h3-12,17,19,31,42H,1,13-16,18H2,2H3,(H,38,43);3-16,18H,1,17,19H2,2H3,(H,37,44)(H,40,43);4-15,18H,16-17H2,1-3H3,(H,36,40);3-11,14-16,18H,1,12-13,17H2,2H3,(H,35,39)
InChIKeyLMUPAVRLHCYRAC-UHFFFAOYSA-N
MW2354.34 g/mol
LogP24.93
Rot. Bonds38

About 4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide

4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide (PubChem CID 159396644) has the molecular formula C130H108F12N12O18 and a molecular weight of 2354.34 g/mol. Its IUPAC name is 4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide
PubChem CID159396644
Molecular FormulaC130H108F12N12O18
Molecular Weight2354.34 g/mol
Exact Mass2352.77
IUPAC Name4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide
SMILESC=C(C(=O)N1CCOCC1)C(O)c1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F.C=C(Cn1cccn1)C(=O)Nc1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F.C=CC(=O)CCc1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F.CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(CC(=O)C=C(C)C)c(C(F)(F)F)c4)cccc23)ccn1
InChIInChI=1S/C34H30F3N3O6.C33H26F3N5O4.C32H27F3N2O4.C31H25F3N2O4/c1-20(33(44)40-13-15-45-16-14-40)31(42)26-10-9-21(17-27(26)34(35,36)37)18-29(41)24-6-3-7-25-23(24)5-4-8-30(25)46-22-11-12-39-28(19-22)32(43)38-2;1-20(19-41-15-5-13-39-41)31(43)40-27-11-10-21(16-26(27)33(34,35)36)17-29(42)24-7-3-8-25-23(24)6-4-9-30(25)45-22-12-14-38-28(18-22)32(44)37-2;1-19(2)14-22(38)17-21-11-10-20(15-27(21)32(33,34)35)16-29(39)25-7-4-8-26-24(25)6-5-9-30(26)41-23-12-13-37-28(18-23)31(40)36-3;1-3-21(37)13-12-20-11-10-19(16-26(20)31(32,33)34)17-28(38)24-7-4-8-25-23(24)6-5-9-29(25)40-22-14-15-36-27(18-22)30(39)35-2/h3-12,17,19,31,42H,1,13-16,18H2,2H3,(H,38,43);3-16,18H,1,17,19H2,2H3,(H,37,44)(H,40,43);4-15,18H,16-17H2,1-3H3,(H,36,40);3-11,14-16,18H,1,12-13,17H2,2H3,(H,35,39)
InChIKeyLMUPAVRLHCYRAC-UHFFFAOYSA-N
XLogP24.93
TPSA403.99 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds38
Heavy Atoms172
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002354.34
LogP ≤ 524.93
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

Analyze 4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide with MolForge

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Related Compounds

4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide
CID 58263531
N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide
CID 58263849
1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide
CID 123554016
3-[2-[6-(aminomethyl)-3-pyridinyl]ethynyl]-4-methyl-N-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]benzamide;3-(2-cinnolin-4-ylethynyl)-N-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]-4-methylbenzamide;4-methyl-N-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-3-[2-(6-pyrrolidin-2-yl-3-pyridinyl)ethynyl]benzamide
CID 157404220
4-[4-[[4-[(E)-but-2-enoyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-cyano-1-hydroxyprop-2-enyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(dimethylcarbamoyl)-1-hydroxyprop-2-enyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-hydroxy-2-methylidene-3-oxobutyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[4-(3-methylbut-2-enoyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide;N-methyl-4-[4-[[4-[2-oxo-3-(pyrazol-1-ylmethyl)but-3-enyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 157764098
2-chloro-N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]acetamide;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-3-methylbut-2-en-1-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;5-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]pent-1-en-3-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]prop-2-enamide;N-[5-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]prop-2-enamide;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide
CID 157898290
2-[2-(1,1-difluoroethyl)-4-pyridinyl]-1-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]ethanone;4-[(dimethylamino)methyl]-N-[3-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-(hydroxymethyl)-3-(trifluoromethyl)benzamide;N-[5-(6-ethoxy-5-morpholin-4-ylpyridazin-3-yl)-6-methyl-3-pyridinyl]-4-propyl-3-(trifluoromethyl)benzamide
CID 159314852
tert-butyl 4-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-4-oxobutanoate;[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-(2-methoxyphenyl)methanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-morpholin-4-ylethanone;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-3-morpholin-4-ylpropan-1-one;1-[4-[[4-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]phenyl]methyl]piperazin-1-yl]-2-pyridin-4-ylethanone;1-[[4-[4-[4-(1H-pyrazol-5-yl)phenyl]phenyl]phenyl]methyl]-4-(pyridin-4-ylmethyl)piperazine
CID 161275343
1-[3-[2-[6-(Aminomethyl)-3-pyridinyl]ethynyl]-4-methylphenyl]-2-[4-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]ethanone;1-[3-(2-cinnolin-4-ylethynyl)-4-methylphenyl]-2-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3-(trifluoromethyl)phenyl]ethanone;2-[4-(1-methylpiperidin-4-yl)oxy-3-(trifluoromethyl)phenyl]-1-[4-methyl-3-[2-(6-pyrrolidin-2-yl-3-pyridinyl)ethynyl]phenyl]ethanone
CID 161919905
4-[5-[2-[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide
CID 162014704
(E)-4-(dimethylamino)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]but-2-en-1-one;2-[hydroxy-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]methyl]-N,N-dimethylprop-2-enamide;(E)-1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenoxy]pent-3-en-2-one;1-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-4-methylpent-3-en-2-one;N-[4-[2-[5-(6-methoxy-7-methylquinolin-4-yl)oxynaphthalen-1-yl]-2-oxoethyl]-2-(trifluoromethyl)phenyl]-2-(pyrazol-1-ylmethyl)prop-2-enamide
CID 162147464
CID 158346251
CID 158346251

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide?
The IUPAC name of 4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide (CID 159396644) is 4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide.
What is the SMILES notation for 4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide?
The canonical SMILES for 4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide is C=C(C(=O)N1CCOCC1)C(O)c1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F.C=C(Cn1cccn1)C(=O)Nc1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F.C=CC(=O)CCc1ccc(CC(=O)c2cccc3c(Oc4ccnc(C(=O)NC)c4)cccc23)cc1C(F)(F)F.CNC(=O)c1cc(Oc2cccc3c(C(=O)Cc4ccc(CC(=O)C=C(C)C)c(C(F)(F)F)c4)cccc23)ccn1.
What is the InChIKey of 4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide?
The InChIKey is LMUPAVRLHCYRAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F3N3O6.C33H26F3N5O4.C32H27F3N2O4.C31H25F3N2O4/c1-20(33(44)40-13-15-45-16-14-40)31(42)26-10-9-21(17-27(26)34(35,36)37)18-29(41)24-6-3-7-25-23(24)5-4-8-30(25)46-22-11-12-39-28(19-22)32(43)38-2;1-20(19-41-15-5-13-39-41)31(43)40-27-11-10-21(16-26(27)33(34,35)36)17-29(42)24-7-3-8-25-23(24)6-4-9-30(25)45-22-12-14-38-28(18-22)32(44)37-2;1-19(2)14-22(38)17-21-11-10-20(15-27(21)32(33,34)35)16-29(39)25-7-4-8-26-24(25)6-5-9-30(26)41-23-12-13-37-28(18-23)31(40)36-3;1-3-21(37)13-12-20-11-10-19(16-26(20)31(32,33)34)17-28(38)24-7-4-8-25-23(24)6-5-9-29(25)40-22-14-15-36-27(18-22)30(39)35-2/h3-12,17,19,31,42H,1,13-16,18H2,2H3,(H,38,43);3-16,18H,1,17,19H2,2H3,(H,37,44)(H,40,43);4-15,18H,16-17H2,1-3H3,(H,36,40);3-11,14-16,18H,1,12-13,17H2,2H3,(H,35,39).
What are the key properties of 4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide?
4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide has a molecular weight of 2354.34 g/mol, XLogP of 24.93, 38 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-[4-[1-hydroxy-2-(morpholine-4-carbonyl)prop-2-enyl]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxy-N-methylpyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(4-methyl-2-oxopent-3-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-(3-oxopent-4-enyl)-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide;N-methyl-4-[5-[2-[4-[2-(pyrazol-1-ylmethyl)prop-2-enoylamino]-3-(trifluoromethyl)phenyl]acetyl]naphthalen-1-yl]oxypyridine-2-carboxamide is sourced from PubChem (CID 159396644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).