4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

C153H113BrF22N32O21S — CID 159951876

IUPAC4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESC=Cc1nccn1-c1ccc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc1C(F)(F)F.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(-c4cccnc4F)cc(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(-c4cc(Br)no4)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(-c4cnc(F)nc4F)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(C(=O)C4(C#N)CC4)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CC(=O)c4cnc(F)s4)c(C(F)(F)F)c3)cc2)ccn1
InChIInChI=1S/C26H19F4N5O4S.C26H19F4N5O3.C26H21F3N6O3.C26H20F3N5O4.C25H17F5N6O3.C24H17BrF3N5O4/c1-31-23(37)20-12-18(8-9-32-20)39-17-6-4-15(5-7-17)34-25(38)35-16-3-2-14(19(11-16)26(28,29)30)10-21(36)22-13-33-24(27)40-22;1-31-24(36)22-14-20(8-10-32-22)38-19-6-4-17(5-7-19)34-25(37)35-18-12-15(11-16(13-18)26(28,29)30)21-3-2-9-33-23(21)27;1-3-23-32-12-13-35(23)22-9-6-17(14-20(22)26(27,28)29)34-25(37)33-16-4-7-18(8-5-16)38-19-10-11-31-21(15-19)24(36)30-2;1-31-23(36)21-13-18(8-11-32-21)38-17-5-2-15(3-6-17)33-24(37)34-16-4-7-19(20(12-16)26(27,28)29)22(35)25(14-30)9-10-25;1-31-22(37)20-11-16(8-9-32-20)39-15-5-2-13(3-6-15)34-24(38)35-14-4-7-17(19(10-14)25(28,29)30)18-12-33-23(27)36-21(18)26;1-29-22(34)19-11-16(8-9-30-19)36-15-5-2-13(3-6-15)31-23(35)32-14-4-7-17(18(10-14)24(26,27)28)20-12-21(25)33-37-20/h2-9,11-13H,10H2,1H3,(H,31,37)(H2,34,35,38);2-14H,1H3,(H,31,36)(H2,34,35,37);3-15H,1H2,2H3,(H,30,36)(H2,33,34,37);2-8,11-13H,9-10H2,1H3,(H,31,36)(H2,33,34,37);2-12H,1H3,(H,31,37)(H2,34,35,38);2-12H,1H3,(H,29,34)(H2,31,32,35)
InChIKeyOCFJLJXPVDRWRS-UHFFFAOYSA-N
MW3265.72 g/mol
LogP35.07
Rot. Bonds40

About 4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 159951876) has the molecular formula C153H113BrF22N32O21S and a molecular weight of 3265.72 g/mol. Its IUPAC name is 4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID159951876
Molecular FormulaC153H113BrF22N32O21S
Molecular Weight3265.72 g/mol
Exact Mass3262.73
IUPAC Name4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESC=Cc1nccn1-c1ccc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc1C(F)(F)F.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(-c4cccnc4F)cc(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(-c4cc(Br)no4)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(-c4cnc(F)nc4F)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(C(=O)C4(C#N)CC4)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CC(=O)c4cnc(F)s4)c(C(F)(F)F)c3)cc2)ccn1
InChIInChI=1S/C26H19F4N5O4S.C26H19F4N5O3.C26H21F3N6O3.C26H20F3N5O4.C25H17F5N6O3.C24H17BrF3N5O4/c1-31-23(37)20-12-18(8-9-32-20)39-17-6-4-15(5-7-17)34-25(38)35-16-3-2-14(19(11-16)26(28,29)30)10-21(36)22-13-33-24(27)40-22;1-31-24(36)22-14-20(8-10-32-22)38-19-6-4-17(5-7-19)34-25(37)35-18-12-15(11-16(13-18)26(28,29)30)21-3-2-9-33-23(21)27;1-3-23-32-12-13-35(23)22-9-6-17(14-20(22)26(27,28)29)34-25(37)33-16-4-7-18(8-5-16)38-19-10-11-31-21(15-19)24(36)30-2;1-31-23(36)21-13-18(8-11-32-21)38-17-5-2-15(3-6-17)33-24(37)34-16-4-7-19(20(12-16)26(27,28)29)22(35)25(14-30)9-10-25;1-31-22(37)20-11-16(8-9-32-20)39-15-5-2-13(3-6-15)34-24(38)35-14-4-7-17(19(10-14)25(28,29)30)18-12-33-23(27)36-21(18)26;1-29-22(34)19-11-16(8-9-30-19)36-15-5-2-13(3-6-15)31-23(35)32-14-4-7-17(18(10-14)24(26,27)28)20-12-21(25)33-37-20/h2-9,11-13H,10H2,1H3,(H,31,37)(H2,34,35,38);2-14H,1H3,(H,31,36)(H2,34,35,37);3-15H,1H2,2H3,(H,30,36)(H2,33,34,37);2-8,11-13H,9-10H2,1H3,(H,31,36)(H2,33,34,37);2-12H,1H3,(H,31,37)(H2,34,35,38);2-12H,1H3,(H,29,34)(H2,31,32,35)
InChIKeyOCFJLJXPVDRWRS-UHFFFAOYSA-N
XLogP35.07
TPSA707.44 Ų
H-Bond Donors18
H-Bond Acceptors36
Rotatable Bonds40
Heavy Atoms230
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003265.72
LogP ≤ 535.07
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1036

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

4-[4-[[4-(2,4-difluoropyridine-3-carbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2,4-difluoropyrimidin-5-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-1,3-thiazol-5-yl)-5-(4-methylimidazol-1-yl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[4-[[(5-methylpyrazole-1-carbonyl)amino]methyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 158105845
4-[[2-[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-[(2-ethenylimidazol-1-yl)methyl]anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-chloro-3-(2-fluoro-1,3-thiazol-5-yl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-[[(3,5-dimethylpyrazole-1-carbonyl)amino]methyl]-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide;4-[[2-[4-(2-fluoro-3-pyridinyl)-3-(trifluoromethyl)anilino]-3H-benzimidazol-5-yl]oxy]-N-methylpyridine-2-carboxamide
CID 158446488
CID 158795693
CID 158795693
4-[4-[[4-[(3-chloro-6-oxopyridazin-1-yl)methyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[(E)-5-(dimethylamino)-2-oxopent-3-enyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[(2-ethenylimidazol-1-yl)methyl]phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;N-methyl-4-[4-[[4-(2-oxobut-3-enyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 160226513
CID 162006111
CID 162006111

Frequently Asked Questions

What is the IUPAC name of 4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (CID 159951876) is 4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is C=Cc1nccn1-c1ccc(NC(=O)Nc2ccc(Oc3ccnc(C(=O)NC)c3)cc2)cc1C(F)(F)F.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3cc(-c4cccnc4F)cc(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(-c4cc(Br)no4)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(-c4cnc(F)nc4F)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(C(=O)C4(C#N)CC4)c(C(F)(F)F)c3)cc2)ccn1.CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(CC(=O)c4cnc(F)s4)c(C(F)(F)F)c3)cc2)ccn1.
What is the InChIKey of 4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is OCFJLJXPVDRWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F4N5O4S.C26H19F4N5O3.C26H21F3N6O3.C26H20F3N5O4.C25H17F5N6O3.C24H17BrF3N5O4/c1-31-23(37)20-12-18(8-9-32-20)39-17-6-4-15(5-7-17)34-25(38)35-16-3-2-14(19(11-16)26(28,29)30)10-21(36)22-13-33-24(27)40-22;1-31-24(36)22-14-20(8-10-32-22)38-19-6-4-17(5-7-19)34-25(37)35-18-12-15(11-16(13-18)26(28,29)30)21-3-2-9-33-23(21)27;1-3-23-32-12-13-35(23)22-9-6-17(14-20(22)26(27,28)29)34-25(37)33-16-4-7-18(8-5-16)38-19-10-11-31-21(15-19)24(36)30-2;1-31-23(36)21-13-18(8-11-32-21)38-17-5-2-15(3-6-17)33-24(37)34-16-4-7-19(20(12-16)26(27,28)29)22(35)25(14-30)9-10-25;1-31-22(37)20-11-16(8-9-32-20)39-15-5-2-13(3-6-15)34-24(38)35-14-4-7-17(19(10-14)25(28,29)30)18-12-33-23(27)36-21(18)26;1-29-22(34)19-11-16(8-9-30-19)36-15-5-2-13(3-6-15)31-23(35)32-14-4-7-17(18(10-14)24(26,27)28)20-12-21(25)33-37-20/h2-9,11-13H,10H2,1H3,(H,31,37)(H2,34,35,38);2-14H,1H3,(H,31,36)(H2,34,35,37);3-15H,1H2,2H3,(H,30,36)(H2,33,34,37);2-8,11-13H,9-10H2,1H3,(H,31,36)(H2,33,34,37);2-12H,1H3,(H,31,37)(H2,34,35,38);2-12H,1H3,(H,29,34)(H2,31,32,35).
What are the key properties of 4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 3265.72 g/mol, XLogP of 35.07, 40 rotatable bonds, 18 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[[4-(3-bromo-1,2-oxazol-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(1-cyanocyclopropanecarbonyl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2,4-difluoropyrimidin-5-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-(2-ethenylimidazol-1-yl)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[3-(2-fluoro-3-pyridinyl)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide;4-[4-[[4-[2-(2-fluoro-1,3-thiazol-5-yl)-2-oxoethyl]-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 159951876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).