N-(cyclohexylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopentylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-methyltriazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxan-2-ylmethyl)triazole-4-carboxamide

C139H153F27N56O13 — CID 159564907

IUPACN-(cyclohexylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopentylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-methyltriazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxan-2-ylmethyl)triazole-4-carboxamide
SMILESCC(F)(F)c1cccc(CNC(=O)c2cn(CCC(F)Cn3cc(C(=O)NCc4cc(C(F)(F)F)ccn4)nn3)nn2)n1.CC(F)(F)c1cncc(CNC(=O)c2cn(CCC(F)Cn3cc(C(=O)NCc4cc(C(F)(F)F)ccn4)nn3)nn2)c1.CNC(=O)c1cn(CCC(F)Cn2cc(C(=O)NCc3cc(C(C)(F)F)ccn3)nn2)nn1.O=C(NCC1CCCC1)c1cn(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1.O=C(NCC1CCCCC1)c1cn(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1.O=C(NCC1CCCCO1)c1cn(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1
InChIInChI=1S/2C25H24F6N10O2.C24H29F4N9O2.C23H27F4N9O3.C23H27F4N9O2.C19H22F3N9O2/c1-24(27,28)17-6-15(8-32-10-17)9-34-22(42)20-13-40(38-36-20)5-3-18(26)12-41-14-21(37-39-41)23(43)35-11-19-7-16(2-4-33-19)25(29,30)31;1-24(27,28)21-4-2-3-17(35-21)10-33-22(42)19-13-40(38-36-19)8-6-16(26)12-41-14-20(37-39-41)23(43)34-11-18-9-15(5-7-32-18)25(29,30)31;25-18(7-9-36-14-20(32-34-36)22(38)30-11-16-4-2-1-3-5-16)13-37-15-21(33-35-37)23(39)31-12-19-10-17(6-8-29-19)24(26,27)28;24-16(5-7-35-13-19(31-33-35)22(38)30-11-18-3-1-2-8-39-18)12-36-14-20(32-34-36)21(37)29-10-17-9-15(4-6-28-17)23(25,26)27;24-17(6-8-35-13-19(31-33-35)21(37)29-10-15-3-1-2-4-15)12-36-14-20(32-34-36)22(38)30-11-18-9-16(5-7-28-18)23(25,26)27;1-19(21,22)12-3-5-24-14(7-12)8-25-18(33)16-11-31(29-27-16)9-13(20)4-6-30-10-15(26-28-30)17(32)23-2/h2,4,6-8,10,13-14,18H,3,5,9,11-12H2,1H3,(H,34,42)(H,35,43);2-5,7,9,13-14,16H,6,8,10-12H2,1H3,(H,33,42)(H,34,43);6,8,10,14-16,18H,1-5,7,9,11-13H2,(H,30,38)(H,31,39);4,6,9,13-14,16,18H,1-3,5,7-8,10-12H2,(H,29,37)(H,30,38);5,7,9,13-15,17H,1-4,6,8,10-12H2,(H,29,37)(H,30,38);3,5,7,10-11,13H,4,6,8-9H2,1-2H3,(H,23,32)(H,25,33)
InChIKeyMHBOPLHDUAOIEN-UHFFFAOYSA-N
MW3329.08 g/mol
LogP14.71
Rot. Bonds67

About N-(cyclohexylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopentylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-methyltriazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxan-2-ylmethyl)triazole-4-carboxamide

N-(cyclohexylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopentylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-methyltriazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxan-2-ylmethyl)triazole-4-carboxamide (PubChem CID 159564907) has the molecular formula C139H153F27N56O13 and a molecular weight of 3329.08 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopentylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-methyltriazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxan-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopentylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-methyltriazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxan-2-ylmethyl)triazole-4-carboxamide
PubChem CID159564907
Molecular FormulaC139H153F27N56O13
Molecular Weight3329.08 g/mol
Exact Mass3327.26
IUPAC NameN-(cyclohexylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopentylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-methyltriazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxan-2-ylmethyl)triazole-4-carboxamide
SMILESCC(F)(F)c1cccc(CNC(=O)c2cn(CCC(F)Cn3cc(C(=O)NCc4cc(C(F)(F)F)ccn4)nn3)nn2)n1.CC(F)(F)c1cncc(CNC(=O)c2cn(CCC(F)Cn3cc(C(=O)NCc4cc(C(F)(F)F)ccn4)nn3)nn2)c1.CNC(=O)c1cn(CCC(F)Cn2cc(C(=O)NCc3cc(C(C)(F)F)ccn3)nn2)nn1.O=C(NCC1CCCC1)c1cn(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1.O=C(NCC1CCCCC1)c1cn(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1.O=C(NCC1CCCCO1)c1cn(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1
InChIInChI=1S/2C25H24F6N10O2.C24H29F4N9O2.C23H27F4N9O3.C23H27F4N9O2.C19H22F3N9O2/c1-24(27,28)17-6-15(8-32-10-17)9-34-22(42)20-13-40(38-36-20)5-3-18(26)12-41-14-21(37-39-41)23(43)35-11-19-7-16(2-4-33-19)25(29,30)31;1-24(27,28)21-4-2-3-17(35-21)10-33-22(42)19-13-40(38-36-19)8-6-16(26)12-41-14-20(37-39-41)23(43)34-11-18-9-15(5-7-32-18)25(29,30)31;25-18(7-9-36-14-20(32-34-36)22(38)30-11-16-4-2-1-3-5-16)13-37-15-21(33-35-37)23(39)31-12-19-10-17(6-8-29-19)24(26,27)28;24-16(5-7-35-13-19(31-33-35)22(38)30-11-18-3-1-2-8-39-18)12-36-14-20(32-34-36)21(37)29-10-17-9-15(4-6-28-17)23(25,26)27;24-17(6-8-35-13-19(31-33-35)21(37)29-10-15-3-1-2-4-15)12-36-14-20(32-34-36)22(38)30-11-18-9-16(5-7-28-18)23(25,26)27;1-19(21,22)12-3-5-24-14(7-12)8-25-18(33)16-11-31(29-27-16)9-13(20)4-6-30-10-15(26-28-30)17(32)23-2/h2,4,6-8,10,13-14,18H,3,5,9,11-12H2,1H3,(H,34,42)(H,35,43);2-5,7,9,13-14,16H,6,8,10-12H2,1H3,(H,33,42)(H,34,43);6,8,10,14-16,18H,1-5,7,9,11-13H2,(H,30,38)(H,31,39);4,6,9,13-14,16,18H,1-3,5,7-8,10-12H2,(H,29,37)(H,30,38);5,7,9,13-15,17H,1-4,6,8,10-12H2,(H,29,37)(H,30,38);3,5,7,10-11,13H,4,6,8-9H2,1-2H3,(H,23,32)(H,25,33)
InChIKeyMHBOPLHDUAOIEN-UHFFFAOYSA-N
XLogP14.71
TPSA830.07 Ų
H-Bond Donors12
H-Bond Acceptors57
Rotatable Bonds67
Heavy Atoms235
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003329.08
LogP ≤ 514.71
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1057

Analyze N-(cyclohexylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopentylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-methyltriazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxan-2-ylmethyl)triazole-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopentylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-methyltriazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxan-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopentylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-methyltriazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxan-2-ylmethyl)triazole-4-carboxamide (CID 159564907) is N-(cyclohexylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopentylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-methyltriazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxan-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopentylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-methyltriazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxan-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopentylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-methyltriazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxan-2-ylmethyl)triazole-4-carboxamide is CC(F)(F)c1cccc(CNC(=O)c2cn(CCC(F)Cn3cc(C(=O)NCc4cc(C(F)(F)F)ccn4)nn3)nn2)n1.CC(F)(F)c1cncc(CNC(=O)c2cn(CCC(F)Cn3cc(C(=O)NCc4cc(C(F)(F)F)ccn4)nn3)nn2)c1.CNC(=O)c1cn(CCC(F)Cn2cc(C(=O)NCc3cc(C(C)(F)F)ccn3)nn2)nn1.O=C(NCC1CCCC1)c1cn(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1.O=C(NCC1CCCCC1)c1cn(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1.O=C(NCC1CCCCO1)c1cn(CCC(F)Cn2cc(C(=O)NCc3cc(C(F)(F)F)ccn3)nn2)nn1.
What is the InChIKey of N-(cyclohexylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopentylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-methyltriazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxan-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is MHBOPLHDUAOIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H24F6N10O2.C24H29F4N9O2.C23H27F4N9O3.C23H27F4N9O2.C19H22F3N9O2/c1-24(27,28)17-6-15(8-32-10-17)9-34-22(42)20-13-40(38-36-20)5-3-18(26)12-41-14-21(37-39-41)23(43)35-11-19-7-16(2-4-33-19)25(29,30)31;1-24(27,28)21-4-2-3-17(35-21)10-33-22(42)19-13-40(38-36-19)8-6-16(26)12-41-14-20(37-39-41)23(43)34-11-18-9-15(5-7-32-18)25(29,30)31;25-18(7-9-36-14-20(32-34-36)22(38)30-11-16-4-2-1-3-5-16)13-37-15-21(33-35-37)23(39)31-12-19-10-17(6-8-29-19)24(26,27)28;24-16(5-7-35-13-19(31-33-35)22(38)30-11-18-3-1-2-8-39-18)12-36-14-20(32-34-36)21(37)29-10-17-9-15(4-6-28-17)23(25,26)27;24-17(6-8-35-13-19(31-33-35)21(37)29-10-15-3-1-2-4-15)12-36-14-20(32-34-36)22(38)30-11-18-9-16(5-7-28-18)23(25,26)27;1-19(21,22)12-3-5-24-14(7-12)8-25-18(33)16-11-31(29-27-16)9-13(20)4-6-30-10-15(26-28-30)17(32)23-2/h2,4,6-8,10,13-14,18H,3,5,9,11-12H2,1H3,(H,34,42)(H,35,43);2-5,7,9,13-14,16H,6,8,10-12H2,1H3,(H,33,42)(H,34,43);6,8,10,14-16,18H,1-5,7,9,11-13H2,(H,30,38)(H,31,39);4,6,9,13-14,16,18H,1-3,5,7-8,10-12H2,(H,29,37)(H,30,38);5,7,9,13-15,17H,1-4,6,8,10-12H2,(H,29,37)(H,30,38);3,5,7,10-11,13H,4,6,8-9H2,1-2H3,(H,23,32)(H,25,33).
What are the key properties of N-(cyclohexylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopentylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-methyltriazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxan-2-ylmethyl)triazole-4-carboxamide?
N-(cyclohexylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopentylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-methyltriazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxan-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 3329.08 g/mol, XLogP of 14.71, 67 rotatable bonds, 12 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopentylmethyl)-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]-3-fluorobutyl]-N-methyltriazole-4-carboxamide;N-[[5-(1,1-difluoroethyl)-3-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-[[6-(1,1-difluoroethyl)-2-pyridinyl]methyl]-1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxan-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 159564907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).