N-(cyclohexylmethyl)-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;1-[4-[4-[[5-(1,1-difluoroethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;N-(oxolan-2-ylmethyl)-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide

C131H160F14N54O15 — CID 159876695

IUPACN-(cyclohexylmethyl)-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;1-[4-[4-[[5-(1,1-difluoroethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;N-(oxolan-2-ylmethyl)-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide
SMILESCC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCn3cc(C(=O)NCC4CC4)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCn3cc(C(=O)NCC4COC4)nn3)nn2)c1.CC(F)(F)c1cncc(CNC(=O)c2cn(CCCCn3cc(C(=O)NCC4COC4)nn3)nn2)c1.CNC(=O)c1cn(CCCCn2cc(C(=O)NCc3cc(C(C)(F)F)ccn3)nn2)nn1.O=C(NCc1cc(C(F)(F)F)ccn1)c1cn(CCCCn2cc(C(=O)NCC3CCCCC3)nn2)nn1.O=C(NCc1cncc(C(F)(F)F)c1)c1cn(CCCCn2cc(C(=O)NCC3CCCO3)nn2)nn1
InChIInChI=1S/C24H30F3N9O2.C22H26F3N9O3.2C22H27F2N9O3.C22H27F2N9O2.C19H23F2N9O2/c25-24(26,27)18-8-9-28-19(12-18)14-30-23(38)21-16-36(34-32-21)11-5-4-10-35-15-20(31-33-35)22(37)29-13-17-6-2-1-3-7-17;23-22(24,25)16-8-15(9-26-11-16)10-27-20(35)18-13-33(31-29-18)5-1-2-6-34-14-19(30-32-34)21(36)28-12-17-4-3-7-37-17;1-22(23,24)16-4-5-25-17(8-16)10-27-21(35)19-12-33(31-29-19)7-3-2-6-32-11-18(28-30-32)20(34)26-9-15-13-36-14-15;1-22(23,24)17-6-15(7-25-10-17)8-26-20(34)18-11-32(30-28-18)4-2-3-5-33-12-19(29-31-33)21(35)27-9-16-13-36-14-16;1-22(23,24)16-6-7-25-17(10-16)12-27-21(35)19-14-33(31-29-19)9-3-2-8-32-13-18(28-30-32)20(34)26-11-15-4-5-15;1-19(20,21)13-5-6-23-14(9-13)10-24-18(32)16-12-30(28-26-16)8-4-3-7-29-11-15(25-27-29)17(31)22-2/h8-9,12,15-17H,1-7,10-11,13-14H2,(H,29,37)(H,30,38);8-9,11,13-14,17H,1-7,10,12H2,(H,27,35)(H,28,36);4-5,8,11-12,15H,2-3,6-7,9-10,13-14H2,1H3,(H,26,34)(H,27,35);6-7,10-12,16H,2-5,8-9,13-14H2,1H3,(H,26,34)(H,27,35);6-7,10,13-15H,2-5,8-9,11-12H2,1H3,(H,26,34)(H,27,35);5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,22,31)(H,24,32)
InChIKeyNSZMTRURMRYFHL-UHFFFAOYSA-N
MW2997.06 g/mol
LogP10.01
Rot. Bonds68

About N-(cyclohexylmethyl)-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;1-[4-[4-[[5-(1,1-difluoroethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;N-(oxolan-2-ylmethyl)-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide

N-(cyclohexylmethyl)-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;1-[4-[4-[[5-(1,1-difluoroethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;N-(oxolan-2-ylmethyl)-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide (PubChem CID 159876695) has the molecular formula C131H160F14N54O15 and a molecular weight of 2997.06 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;1-[4-[4-[[5-(1,1-difluoroethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;N-(oxolan-2-ylmethyl)-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;1-[4-[4-[[5-(1,1-difluoroethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;N-(oxolan-2-ylmethyl)-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide
PubChem CID159876695
Molecular FormulaC131H160F14N54O15
Molecular Weight2997.06 g/mol
Exact Mass2995.32
IUPAC NameN-(cyclohexylmethyl)-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;1-[4-[4-[[5-(1,1-difluoroethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;N-(oxolan-2-ylmethyl)-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide
SMILESCC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCn3cc(C(=O)NCC4CC4)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCn3cc(C(=O)NCC4COC4)nn3)nn2)c1.CC(F)(F)c1cncc(CNC(=O)c2cn(CCCCn3cc(C(=O)NCC4COC4)nn3)nn2)c1.CNC(=O)c1cn(CCCCn2cc(C(=O)NCc3cc(C(C)(F)F)ccn3)nn2)nn1.O=C(NCc1cc(C(F)(F)F)ccn1)c1cn(CCCCn2cc(C(=O)NCC3CCCCC3)nn2)nn1.O=C(NCc1cncc(C(F)(F)F)c1)c1cn(CCCCn2cc(C(=O)NCC3CCCO3)nn2)nn1
InChIInChI=1S/C24H30F3N9O2.C22H26F3N9O3.2C22H27F2N9O3.C22H27F2N9O2.C19H23F2N9O2/c25-24(26,27)18-8-9-28-19(12-18)14-30-23(38)21-16-36(34-32-21)11-5-4-10-35-15-20(31-33-35)22(37)29-13-17-6-2-1-3-7-17;23-22(24,25)16-8-15(9-26-11-16)10-27-20(35)18-13-33(31-29-18)5-1-2-6-34-14-19(30-32-34)21(36)28-12-17-4-3-7-37-17;1-22(23,24)16-4-5-25-17(8-16)10-27-21(35)19-12-33(31-29-19)7-3-2-6-32-11-18(28-30-32)20(34)26-9-15-13-36-14-15;1-22(23,24)17-6-15(7-25-10-17)8-26-20(34)18-11-32(30-28-18)4-2-3-5-33-12-19(29-31-33)21(35)27-9-16-13-36-14-16;1-22(23,24)16-6-7-25-17(10-16)12-27-21(35)19-14-33(31-29-19)9-3-2-8-32-13-18(28-30-32)20(34)26-11-15-4-5-15;1-19(20,21)13-5-6-23-14(9-13)10-24-18(32)16-12-30(28-26-16)8-4-3-7-29-11-15(25-27-29)17(31)22-2/h8-9,12,15-17H,1-7,10-11,13-14H2,(H,29,37)(H,30,38);8-9,11,13-14,17H,1-7,10,12H2,(H,27,35)(H,28,36);4-5,8,11-12,15H,2-3,6-7,9-10,13-14H2,1H3,(H,26,34)(H,27,35);6-7,10-12,16H,2-5,8-9,13-14H2,1H3,(H,26,34)(H,27,35);6-7,10,13-15H,2-5,8-9,11-12H2,1H3,(H,26,34)(H,27,35);5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,22,31)(H,24,32)
InChIKeyNSZMTRURMRYFHL-UHFFFAOYSA-N
XLogP10.01
TPSA822.75 Ų
H-Bond Donors12
H-Bond Acceptors57
Rotatable Bonds68
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002997.06
LogP ≤ 510.01
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

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

Analyze N-(cyclohexylmethyl)-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;1-[4-[4-[[5-(1,1-difluoroethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;N-(oxolan-2-ylmethyl)-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-(oxetan-3-ylmethyl)-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide
CID 118646637
N-[[5-(2-fluoropropan-2-yl)-3-pyridinyl]methyl]-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide
CID 146527466
1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-[(4-methylphenyl)methyl]triazole-4-carboxamide
CID 158710662
methyl 1-[3-fluoro-4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxylate
CID 118640404
1-[4-[6-[[2-[5-(3,3-difluorocyclobutyl)oxy-3-pyridinyl]acetyl]amino]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide
CID 118646433
1-[4-[amino-[(Z)-2-amino-3-[[3-(fluoromethoxy)phenyl]methylamino]-3-oxoprop-1-enyl]amino]butyl]-N-[[5-(trifluoromethyl)-3-pyridinyl]methyl]triazole-4-carboxamide
CID 146527252
1-[2-fluoro-4-[6-[2-oxo-3-[4-(trifluoromethyl)-2-pyridinyl]propyl]pyridazin-3-yl]butyl]-N-methyltriazole-4-carboxamide
CID 148990259
1-[4-[6-cyclopropyl-5-(furan-3-yl)-7H-pyrrolo[2,3-c]pyridazin-3-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide
CID 118620802
1-[4-[4-[(2-cyclobutylacetyl)amino]-6-oxopyridazin-1-yl]-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide
CID 118622084
5-[3-fluoro-4-[4-(methylcarbamoyl)triazol-1-yl]butyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 118640468
1-[4-(6-aminopyridazin-3-yl)-2-fluorobutyl]-N-[[4-(trifluoromethyl)-2-pyridinyl]methyl]triazole-4-carboxamide
CID 118627415
1-[4-[amino-[(E)-3-[4-(trifluoromethyl)-2-pyridinyl]prop-1-enyl]amino]-3-fluorobutyl]-N-methyltriazole-4-carboxamide
CID 146527789

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;1-[4-[4-[[5-(1,1-difluoroethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;N-(oxolan-2-ylmethyl)-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;1-[4-[4-[[5-(1,1-difluoroethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;N-(oxolan-2-ylmethyl)-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide (CID 159876695) is N-(cyclohexylmethyl)-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;1-[4-[4-[[5-(1,1-difluoroethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;N-(oxolan-2-ylmethyl)-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;1-[4-[4-[[5-(1,1-difluoroethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;N-(oxolan-2-ylmethyl)-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;1-[4-[4-[[5-(1,1-difluoroethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;N-(oxolan-2-ylmethyl)-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide is CC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCn3cc(C(=O)NCC4CC4)nn3)nn2)c1.CC(F)(F)c1ccnc(CNC(=O)c2cn(CCCCn3cc(C(=O)NCC4COC4)nn3)nn2)c1.CC(F)(F)c1cncc(CNC(=O)c2cn(CCCCn3cc(C(=O)NCC4COC4)nn3)nn2)c1.CNC(=O)c1cn(CCCCn2cc(C(=O)NCc3cc(C(C)(F)F)ccn3)nn2)nn1.O=C(NCc1cc(C(F)(F)F)ccn1)c1cn(CCCCn2cc(C(=O)NCC3CCCCC3)nn2)nn1.O=C(NCc1cncc(C(F)(F)F)c1)c1cn(CCCCn2cc(C(=O)NCC3CCCO3)nn2)nn1.
What is the InChIKey of N-(cyclohexylmethyl)-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;1-[4-[4-[[5-(1,1-difluoroethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;N-(oxolan-2-ylmethyl)-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide?
The InChIKey is NSZMTRURMRYFHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F3N9O2.C22H26F3N9O3.2C22H27F2N9O3.C22H27F2N9O2.C19H23F2N9O2/c25-24(26,27)18-8-9-28-19(12-18)14-30-23(38)21-16-36(34-32-21)11-5-4-10-35-15-20(31-33-35)22(37)29-13-17-6-2-1-3-7-17;23-22(24,25)16-8-15(9-26-11-16)10-27-20(35)18-13-33(31-29-18)5-1-2-6-34-14-19(30-32-34)21(36)28-12-17-4-3-7-37-17;1-22(23,24)16-4-5-25-17(8-16)10-27-21(35)19-12-33(31-29-19)7-3-2-6-32-11-18(28-30-32)20(34)26-9-15-13-36-14-15;1-22(23,24)17-6-15(7-25-10-17)8-26-20(34)18-11-32(30-28-18)4-2-3-5-33-12-19(29-31-33)21(35)27-9-16-13-36-14-16;1-22(23,24)16-6-7-25-17(10-16)12-27-21(35)19-14-33(31-29-19)9-3-2-8-32-13-18(28-30-32)20(34)26-11-15-4-5-15;1-19(20,21)13-5-6-23-14(9-13)10-24-18(32)16-12-30(28-26-16)8-4-3-7-29-11-15(25-27-29)17(31)22-2/h8-9,12,15-17H,1-7,10-11,13-14H2,(H,29,37)(H,30,38);8-9,11,13-14,17H,1-7,10,12H2,(H,27,35)(H,28,36);4-5,8,11-12,15H,2-3,6-7,9-10,13-14H2,1H3,(H,26,34)(H,27,35);6-7,10-12,16H,2-5,8-9,13-14H2,1H3,(H,26,34)(H,27,35);6-7,10,13-15H,2-5,8-9,11-12H2,1H3,(H,26,34)(H,27,35);5-6,9,11-12H,3-4,7-8,10H2,1-2H3,(H,22,31)(H,24,32).
What are the key properties of N-(cyclohexylmethyl)-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;1-[4-[4-[[5-(1,1-difluoroethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;N-(oxolan-2-ylmethyl)-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide?
N-(cyclohexylmethyl)-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;1-[4-[4-[[5-(1,1-difluoroethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;N-(oxolan-2-ylmethyl)-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide has a molecular weight of 2997.06 g/mol, XLogP of 10.01, 68 rotatable bonds, 12 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1-[4-[4-[[4-(trifluoromethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;N-(cyclopropylmethyl)-1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-methyltriazole-4-carboxamide;1-[4-[4-[[4-(1,1-difluoroethyl)-2-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;1-[4-[4-[[5-(1,1-difluoroethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]-N-(oxetan-3-ylmethyl)triazole-4-carboxamide;N-(oxolan-2-ylmethyl)-1-[4-[4-[[5-(trifluoromethyl)-3-pyridinyl]methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide is sourced from PubChem (CID 159876695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).