2-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide;3-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-(4-phenoxyphenyl)ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;2-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide

C205H196F18N28O21 — CID 161097175

IUPAC2-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide;3-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-(4-phenoxyphenyl)ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;2-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)nc3)c2C)ccn1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)nc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(Oc4ccccc4)cc3)c2C)c1.CNC(=O)c1ccnc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)c2C)c1.CNC(=O)c1ccnc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)c1.CNC(=O)c1cncc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)c2C)c1.CNC(=O)c1cncc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)c1
InChIInChI=1S/3C30H29F3N4O3.C29H28F3N5O3.2C29H27F3N4O3.C28H27N3O3/c1-18-11-25(30(31,32)33)9-10-28(18)40-17-21-5-7-23(8-6-21)27(38)13-26-19(2)36-37(20(26)3)16-22-12-24(15-35-14-22)29(39)34-4;1-18-13-24(30(31,32)33)9-10-28(18)40-17-21-5-7-22(8-6-21)27(38)15-26-19(2)36-37(20(26)3)16-25-14-23(11-12-35-25)29(39)34-4;1-18-12-24(30(31,32)33)9-11-28(18)40-17-25-10-8-23(15-35-25)27(38)14-26-19(2)36-37(20(26)3)16-21-6-5-7-22(13-21)29(39)34-4;1-17-11-22(29(30,31)32)6-8-27(17)40-16-23-7-5-21(14-35-23)26(38)13-24-18(2)36-37(19(24)3)15-20-9-10-34-25(12-20)28(39)33-4;1-18-26(19(2)36(35-18)16-21-12-23(15-34-14-21)28(38)33-3)13-27(37)22-6-4-20(5-7-22)17-39-25-10-8-24(9-11-25)29(30,31)32;1-18-26(19(2)36(35-18)16-24-14-22(12-13-34-24)28(38)33-3)15-27(37)21-6-4-20(5-7-21)17-39-25-10-8-23(9-11-25)29(30,31)32;1-19-26(20(2)31(30-19)18-21-8-7-9-23(16-21)28(33)29-3)17-27(32)22-12-14-25(15-13-22)34-24-10-5-4-6-11-24/h5-12,14-15H,13,16-17H2,1-4H3,(H,34,39);5-14H,15-17H2,1-4H3,(H,34,39);5-13,15H,14,16-17H2,1-4H3,(H,34,39);5-12,14H,13,15-16H2,1-4H3,(H,33,39);4-12,14-15H,13,16-17H2,1-3H3,(H,33,38);4-14H,15-17H2,1-3H3,(H,33,38);4-16H,17-18H2,1-3H3,(H,29,33)
InChIKeyUHYGPJKLCFCXLC-UHFFFAOYSA-N
MW3729.96 g/mol
LogP37.71
Rot. Bonds62

About 2-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide;3-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-(4-phenoxyphenyl)ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;2-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide

2-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide;3-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-(4-phenoxyphenyl)ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;2-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide (PubChem CID 161097175) has the molecular formula C205H196F18N28O21 and a molecular weight of 3729.96 g/mol. Its IUPAC name is 2-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide;3-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-(4-phenoxyphenyl)ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;2-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide;3-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-(4-phenoxyphenyl)ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;2-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide
PubChem CID161097175
Molecular FormulaC205H196F18N28O21
Molecular Weight3729.96 g/mol
Exact Mass3727.48
IUPAC Name2-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide;3-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-(4-phenoxyphenyl)ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;2-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1cc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)nc3)c2C)ccn1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)nc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(Oc4ccccc4)cc3)c2C)c1.CNC(=O)c1ccnc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)c2C)c1.CNC(=O)c1ccnc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)c1.CNC(=O)c1cncc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)c2C)c1.CNC(=O)c1cncc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)c1
InChIInChI=1S/3C30H29F3N4O3.C29H28F3N5O3.2C29H27F3N4O3.C28H27N3O3/c1-18-11-25(30(31,32)33)9-10-28(18)40-17-21-5-7-23(8-6-21)27(38)13-26-19(2)36-37(20(26)3)16-22-12-24(15-35-14-22)29(39)34-4;1-18-13-24(30(31,32)33)9-10-28(18)40-17-21-5-7-22(8-6-21)27(38)15-26-19(2)36-37(20(26)3)16-25-14-23(11-12-35-25)29(39)34-4;1-18-12-24(30(31,32)33)9-11-28(18)40-17-25-10-8-23(15-35-25)27(38)14-26-19(2)36-37(20(26)3)16-21-6-5-7-22(13-21)29(39)34-4;1-17-11-22(29(30,31)32)6-8-27(17)40-16-23-7-5-21(14-35-23)26(38)13-24-18(2)36-37(19(24)3)15-20-9-10-34-25(12-20)28(39)33-4;1-18-26(19(2)36(35-18)16-21-12-23(15-34-14-21)28(38)33-3)13-27(37)22-6-4-20(5-7-22)17-39-25-10-8-24(9-11-25)29(30,31)32;1-18-26(19(2)36(35-18)16-24-14-22(12-13-34-24)28(38)33-3)15-27(37)21-6-4-20(5-7-21)17-39-25-10-8-23(9-11-25)29(30,31)32;1-19-26(20(2)31(30-19)18-21-8-7-9-23(16-21)28(33)29-3)17-27(32)22-12-14-25(15-13-22)34-24-10-5-4-6-11-24/h5-12,14-15H,13,16-17H2,1-4H3,(H,34,39);5-14H,15-17H2,1-4H3,(H,34,39);5-13,15H,14,16-17H2,1-4H3,(H,34,39);5-12,14H,13,15-16H2,1-4H3,(H,33,39);4-12,14-15H,13,16-17H2,1-3H3,(H,33,38);4-14H,15-17H2,1-3H3,(H,33,38);4-16H,17-18H2,1-3H3,(H,29,33)
InChIKeyUHYGPJKLCFCXLC-UHFFFAOYSA-N
XLogP37.71
TPSA602.77 Ų
H-Bond Donors7
H-Bond Acceptors42
Rotatable Bonds62
Heavy Atoms272
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003729.96
LogP ≤ 537.71
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1042

Analyze 2-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide;3-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-(4-phenoxyphenyl)ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;2-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide;3-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-(4-phenoxyphenyl)ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;2-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 2-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide;3-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-(4-phenoxyphenyl)ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;2-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide (CID 161097175) is 2-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide;3-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-(4-phenoxyphenyl)ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;2-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 2-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide;3-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-(4-phenoxyphenyl)ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;2-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 2-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide;3-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-(4-phenoxyphenyl)ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;2-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide is CNC(=O)c1cc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)nc3)c2C)ccn1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)nc3)c2C)c1.CNC(=O)c1cccc(Cn2nc(C)c(CC(=O)c3ccc(Oc4ccccc4)cc3)c2C)c1.CNC(=O)c1ccnc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)c2C)c1.CNC(=O)c1ccnc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)c1.CNC(=O)c1cncc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4)cc3)c2C)c1.CNC(=O)c1cncc(Cn2nc(C)c(CC(=O)c3ccc(COc4ccc(C(F)(F)F)cc4C)cc3)c2C)c1.
What is the InChIKey of 2-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide;3-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-(4-phenoxyphenyl)ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;2-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is UHYGPJKLCFCXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/3C30H29F3N4O3.C29H28F3N5O3.2C29H27F3N4O3.C28H27N3O3/c1-18-11-25(30(31,32)33)9-10-28(18)40-17-21-5-7-23(8-6-21)27(38)13-26-19(2)36-37(20(26)3)16-22-12-24(15-35-14-22)29(39)34-4;1-18-13-24(30(31,32)33)9-10-28(18)40-17-21-5-7-22(8-6-21)27(38)15-26-19(2)36-37(20(26)3)16-25-14-23(11-12-35-25)29(39)34-4;1-18-12-24(30(31,32)33)9-11-28(18)40-17-25-10-8-23(15-35-25)27(38)14-26-19(2)36-37(20(26)3)16-21-6-5-7-22(13-21)29(39)34-4;1-17-11-22(29(30,31)32)6-8-27(17)40-16-23-7-5-21(14-35-23)26(38)13-24-18(2)36-37(19(24)3)15-20-9-10-34-25(12-20)28(39)33-4;1-18-26(19(2)36(35-18)16-21-12-23(15-34-14-21)28(38)33-3)13-27(37)22-6-4-20(5-7-22)17-39-25-10-8-24(9-11-25)29(30,31)32;1-18-26(19(2)36(35-18)16-24-14-22(12-13-34-24)28(38)33-3)15-27(37)21-6-4-20(5-7-21)17-39-25-10-8-23(9-11-25)29(30,31)32;1-19-26(20(2)31(30-19)18-21-8-7-9-23(16-21)28(33)29-3)17-27(32)22-12-14-25(15-13-22)34-24-10-5-4-6-11-24/h5-12,14-15H,13,16-17H2,1-4H3,(H,34,39);5-14H,15-17H2,1-4H3,(H,34,39);5-13,15H,14,16-17H2,1-4H3,(H,34,39);5-12,14H,13,15-16H2,1-4H3,(H,33,39);4-12,14-15H,13,16-17H2,1-3H3,(H,33,38);4-14H,15-17H2,1-3H3,(H,33,38);4-16H,17-18H2,1-3H3,(H,29,33).
What are the key properties of 2-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide;3-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-(4-phenoxyphenyl)ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;2-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide?
2-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide;3-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-(4-phenoxyphenyl)ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;2-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 3729.96 g/mol, XLogP of 37.71, 62 rotatable bonds, 7 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-[4-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]phenyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide;3-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;4-[[3,5-dimethyl-4-[2-[6-[[2-methyl-4-(trifluoromethyl)phenoxy]methyl]-3-pyridinyl]-2-oxoethyl]pyrazol-1-yl]methyl]-N-methylpyridine-2-carboxamide;3-[[3,5-dimethyl-4-[2-oxo-2-(4-phenoxyphenyl)ethyl]pyrazol-1-yl]methyl]-N-methylbenzamide;2-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-4-carboxamide;5-[[3,5-dimethyl-4-[2-oxo-2-[4-[[4-(trifluoromethyl)phenoxy]methyl]phenyl]ethyl]pyrazol-1-yl]methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 161097175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).