N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide

C126H117F30N45O11S4 — CID 160981936

IUPACN-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(F)(F)c1ccc(CNC(=O)c2nnc(CCC(F)Cn3cc(C(=O)NCc4cc(C(F)(F)F)ccn4)nn3)s2)nc1.CC(F)(F)c1ccc(CNC(=O)c2nnc(CCC(F)Cn3cc(C(=O)NCc4cncc(C(F)(F)F)c4)nn3)s2)nc1.CC(F)(F)c1cccc(CNC(=O)c2cn(CCC(F)Cn3cc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)nn2)n1.CC(F)(F)c1cccc(CNC(=O)c2nnc(CCC(F)Cn3cc(C(=O)NCc4cc(C(F)(F)F)ccn4)nn3)s2)n1.CC(F)(F)c1cccc(CNC(=O)c2nnc(CCC(F)Cn3cc(C(=O)NCc4cncc(C(F)(F)F)c4)nn3)s2)n1
InChIInChI=1S/C26H25F6N9O3.4C25H23F6N9O2S/c1-25(28,29)21-7-3-5-18(34-21)12-33-24(43)20-14-40(38-36-20)9-8-17(27)13-41-15-22(37-39-41)35-23(42)11-16-4-2-6-19(10-16)44-26(30,31)32;1-24(27,28)15-2-4-18(33-10-15)11-35-22(42)23-38-37-20(43-23)5-3-17(26)12-40-13-19(36-39-40)21(41)34-8-14-6-16(9-32-7-14)25(29,30)31;1-24(27,28)15-2-4-17(33-9-15)10-35-22(42)23-38-37-20(43-23)5-3-16(26)12-40-13-19(36-39-40)21(41)34-11-18-8-14(6-7-32-18)25(29,30)31;1-24(27,28)19-4-2-3-17(35-19)11-34-22(42)23-38-37-20(43-23)6-5-16(26)12-40-13-18(36-39-40)21(41)33-9-14-7-15(10-32-8-14)25(29,30)31;1-24(27,28)19-4-2-3-16(35-19)10-34-22(42)23-38-37-20(43-23)6-5-15(26)12-40-13-18(36-39-40)21(41)33-11-17-9-14(7-8-32-17)25(29,30)31/h2-7,10,14-15,17H,8-9,11-13H2,1H3,(H,33,43)(H,35,42);2,4,6-7,9-10,13,17H,3,5,8,11-12H2,1H3,(H,34,41)(H,35,42);2,4,6-9,13,16H,3,5,10-12H2,1H3,(H,34,41)(H,35,42);2-4,7-8,10,13,16H,5-6,9,11-12H2,1H3,(H,33,41)(H,34,42);2-4,7-9,13,15H,5-6,10-12H2,1H3,(H,33,41)(H,34,42)
InChIKeySZQAMGXGGRKDOR-UHFFFAOYSA-N
MW3135.83 g/mol
LogP19.34
Rot. Bonds61

About N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide

N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 160981936) has the molecular formula C126H117F30N45O11S4 and a molecular weight of 3135.83 g/mol. Its IUPAC name is N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound NameN-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID160981936
Molecular FormulaC126H117F30N45O11S4
Molecular Weight3135.83 g/mol
Exact Mass3133.84
IUPAC NameN-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(F)(F)c1ccc(CNC(=O)c2nnc(CCC(F)Cn3cc(C(=O)NCc4cc(C(F)(F)F)ccn4)nn3)s2)nc1.CC(F)(F)c1ccc(CNC(=O)c2nnc(CCC(F)Cn3cc(C(=O)NCc4cncc(C(F)(F)F)c4)nn3)s2)nc1.CC(F)(F)c1cccc(CNC(=O)c2cn(CCC(F)Cn3cc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)nn2)n1.CC(F)(F)c1cccc(CNC(=O)c2nnc(CCC(F)Cn3cc(C(=O)NCc4cc(C(F)(F)F)ccn4)nn3)s2)n1.CC(F)(F)c1cccc(CNC(=O)c2nnc(CCC(F)Cn3cc(C(=O)NCc4cncc(C(F)(F)F)c4)nn3)s2)n1
InChIInChI=1S/C26H25F6N9O3.4C25H23F6N9O2S/c1-25(28,29)21-7-3-5-18(34-21)12-33-24(43)20-14-40(38-36-20)9-8-17(27)13-41-15-22(37-39-41)35-23(42)11-16-4-2-6-19(10-16)44-26(30,31)32;1-24(27,28)15-2-4-18(33-10-15)11-35-22(42)23-38-37-20(43-23)5-3-17(26)12-40-13-19(36-39-40)21(41)34-8-14-6-16(9-32-7-14)25(29,30)31;1-24(27,28)15-2-4-17(33-9-15)10-35-22(42)23-38-37-20(43-23)5-3-16(26)12-40-13-19(36-39-40)21(41)34-11-18-8-14(6-7-32-18)25(29,30)31;1-24(27,28)19-4-2-3-17(35-19)11-34-22(42)23-38-37-20(43-23)6-5-16(26)12-40-13-18(36-39-40)21(41)33-9-14-7-15(10-32-8-14)25(29,30)31;1-24(27,28)19-4-2-3-16(35-19)10-34-22(42)23-38-37-20(43-23)6-5-15(26)12-40-13-18(36-39-40)21(41)33-11-17-9-14(7-8-32-17)25(29,30)31/h2-7,10,14-15,17H,8-9,11-13H2,1H3,(H,33,43)(H,35,42);2,4,6-7,9-10,13,17H,3,5,8,11-12H2,1H3,(H,34,41)(H,35,42);2,4,6-9,13,16H,3,5,10-12H2,1H3,(H,34,41)(H,35,42);2-4,7-8,10,13,16H,5-6,9,11-12H2,1H3,(H,33,41)(H,34,42);2-4,7-9,13,15H,5-6,10-12H2,1H3,(H,33,41)(H,34,42)
InChIKeySZQAMGXGGRKDOR-UHFFFAOYSA-N
XLogP19.34
TPSA703.62 Ų
H-Bond Donors10
H-Bond Acceptors50
Rotatable Bonds61
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003135.83
LogP ≤ 519.34
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1050

Analyze N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide with MolForge

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Related Compounds

US10344025, Example 1
CID 118627275
US10344025, Example 19
CID 118640271
US10344025, Example 204
CID 118640347
US10344025, Example 223
CID 118640353
US10344025, Example 218
CID 118640591
US10344025, Example 537
CID 118640652
US10344025, Example 533
CID 118640654
US10344025, Example 559
CID 118640656
US10344025, Example 195
CID 118640970
US10344025, Example 495
CID 118646434
US10344025, Example 206
CID 118646436
US10344025, Example 493
CID 118646489

Frequently Asked Questions

What is the IUPAC name of N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide (CID 160981936) is N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide is CC(F)(F)c1ccc(CNC(=O)c2nnc(CCC(F)Cn3cc(C(=O)NCc4cc(C(F)(F)F)ccn4)nn3)s2)nc1.CC(F)(F)c1ccc(CNC(=O)c2nnc(CCC(F)Cn3cc(C(=O)NCc4cncc(C(F)(F)F)c4)nn3)s2)nc1.CC(F)(F)c1cccc(CNC(=O)c2cn(CCC(F)Cn3cc(NC(=O)Cc4cccc(OC(F)(F)F)c4)nn3)nn2)n1.CC(F)(F)c1cccc(CNC(=O)c2nnc(CCC(F)Cn3cc(C(=O)NCc4cc(C(F)(F)F)ccn4)nn3)s2)n1.CC(F)(F)c1cccc(CNC(=O)c2nnc(CCC(F)Cn3cc(C(=O)NCc4cncc(C(F)(F)F)c4)nn3)s2)n1.
What is the InChIKey of N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is SZQAMGXGGRKDOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F6N9O3.4C25H23F6N9O2S/c1-25(28,29)21-7-3-5-18(34-21)12-33-24(43)20-14-40(38-36-20)9-8-17(27)13-41-15-22(37-39-41)35-23(42)11-16-4-2-6-19(10-16)44-26(30,31)32;1-24(27,28)15-2-4-18(33-10-15)11-35-22(42)23-38-37-20(43-23)5-3-17(26)12-40-13-19(36-39-40)21(41)34-8-14-6-16(9-32-7-14)25(29,30)31;1-24(27,28)15-2-4-17(33-9-15)10-35-22(42)23-38-37-20(43-23)5-3-16(26)12-40-13-19(36-39-40)21(41)34-11-18-8-14(6-7-32-18)25(29,30)31;1-24(27,28)19-4-2-3-17(35-19)11-34-22(42)23-38-37-20(43-23)6-5-16(26)12-40-13-18(36-39-40)21(41)33-9-14-7-15(10-32-8-14)25(29,30)31;1-24(27,28)19-4-2-3-16(35-19)10-34-22(42)23-38-37-20(43-23)6-5-15(26)12-40-13-18(36-39-40)21(41)33-11-17-9-14(7-8-32-17)25(29,30)31/h2-7,10,14-15,17H,8-9,11-13H2,1H3,(H,33,43)(H,35,42);2,4,6-7,9-10,13,17H,3,5,8,11-12H2,1H3,(H,34,41)(H,35,42);2,4,6-9,13,16H,3,5,10-12H2,1H3,(H,34,41)(H,35,42);2-4,7-8,10,13,16H,5-6,9,11-12H2,1H3,(H,33,41)(H,34,42);2-4,7-9,13,15H,5-6,10-12H2,1H3,(H,33,41)(H,34,42).
What are the key properties of N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide?
N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 3135.83 g/mol, XLogP of 19.34, 61 rotatable bonds, 10 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[5-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-5-[3-fluoro-4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 160981936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).