N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(3-fluoro-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

C116H140F14N48O11 — CID 158231115

IUPACN-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(3-fluoro-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CCCCn3cc(NC(=O)CN4CCC(F)(F)CC4)nn3)nn2)c1.Cc1ccc(CNC(=O)c2cn(CCCCn3cc(NC(=O)CN4CCC(F)(F)CC4)nn3)nn2)cn1.Cc1ccc(F)c(CNC(=O)c2cn(CCCCn3cc(NC(=O)CN4CCC(F)(F)CC4)nn3)nn2)c1.O=C(CN1CCC(F)(F)CC1)Nc1cn(CCCCn2cc(C(=O)NCc3ncccc3F)nn2)nn1.O=C(Cc1ccccn1)Nc1cn(CC(F)CCn2cc(C(=O)NCc3ccccn3)nn2)nn1
InChIInChI=1S/C25H30F5N9O3.C24H30F3N9O2.C23H30F2N10O2.C22H27F3N10O2.C22H23FN10O2/c1-24(27,28)42-18-4-5-19(26)17(12-18)13-31-23(41)20-14-38(35-33-20)8-2-3-9-39-15-21(34-36-39)32-22(40)16-37-10-6-25(29,30)7-11-37;1-17-4-5-19(25)18(12-17)13-28-23(38)20-14-35(32-30-20)8-2-3-9-36-15-21(31-33-36)29-22(37)16-34-10-6-24(26,27)7-11-34;1-17-4-5-18(12-26-17)13-27-22(37)19-14-34(31-29-19)8-2-3-9-35-15-20(30-32-35)28-21(36)16-33-10-6-23(24,25)7-11-33;23-16-4-3-7-26-17(16)12-27-21(37)18-13-34(31-29-18)8-1-2-9-35-14-19(30-32-35)28-20(36)15-33-10-5-22(24,25)6-11-33;23-16(13-33-15-20(29-31-33)27-21(34)11-17-5-1-3-8-24-17)7-10-32-14-19(28-30-32)22(35)26-12-18-6-2-4-9-25-18/h4-5,12,14-15H,2-3,6-11,13,16H2,1H3,(H,31,41)(H,32,40);4-5,12,14-15H,2-3,6-11,13,16H2,1H3,(H,28,38)(H,29,37);4-5,12,14-15H,2-3,6-11,13,16H2,1H3,(H,27,37)(H,28,36);3-4,7,13-14H,1-2,5-6,8-12,15H2,(H,27,37)(H,28,36);1-6,8-9,14-16H,7,10-13H2,(H,26,35)(H,27,34)
InChIKeyGEJWMXPSXKKIDY-UHFFFAOYSA-N
MW2648.69 g/mol
LogP9.81
Rot. Bonds57

About N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(3-fluoro-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(3-fluoro-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (PubChem CID 158231115) has the molecular formula C116H140F14N48O11 and a molecular weight of 2648.69 g/mol. Its IUPAC name is N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(3-fluoro-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

Compound NameN-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(3-fluoro-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
PubChem CID158231115
Molecular FormulaC116H140F14N48O11
Molecular Weight2648.69 g/mol
Exact Mass2647.16
IUPAC NameN-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(3-fluoro-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
SMILESCC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CCCCn3cc(NC(=O)CN4CCC(F)(F)CC4)nn3)nn2)c1.Cc1ccc(CNC(=O)c2cn(CCCCn3cc(NC(=O)CN4CCC(F)(F)CC4)nn3)nn2)cn1.Cc1ccc(F)c(CNC(=O)c2cn(CCCCn3cc(NC(=O)CN4CCC(F)(F)CC4)nn3)nn2)c1.O=C(CN1CCC(F)(F)CC1)Nc1cn(CCCCn2cc(C(=O)NCc3ncccc3F)nn2)nn1.O=C(Cc1ccccn1)Nc1cn(CC(F)CCn2cc(C(=O)NCc3ccccn3)nn2)nn1
InChIInChI=1S/C25H30F5N9O3.C24H30F3N9O2.C23H30F2N10O2.C22H27F3N10O2.C22H23FN10O2/c1-24(27,28)42-18-4-5-19(26)17(12-18)13-31-23(41)20-14-38(35-33-20)8-2-3-9-39-15-21(34-36-39)32-22(40)16-37-10-6-25(29,30)7-11-37;1-17-4-5-19(25)18(12-17)13-28-23(38)20-14-35(32-30-20)8-2-3-9-36-15-21(31-33-36)29-22(37)16-34-10-6-24(26,27)7-11-34;1-17-4-5-18(12-26-17)13-27-22(37)19-14-34(31-29-19)8-2-3-9-35-15-20(30-32-35)28-21(36)16-33-10-6-23(24,25)7-11-33;23-16-4-3-7-26-17(16)12-27-21(37)18-13-34(31-29-18)8-1-2-9-35-14-19(30-32-35)28-20(36)15-33-10-5-22(24,25)6-11-33;23-16(13-33-15-20(29-31-33)27-21(34)11-17-5-1-3-8-24-17)7-10-32-14-19(28-30-32)22(35)26-12-18-6-2-4-9-25-18/h4-5,12,14-15H,2-3,6-11,13,16H2,1H3,(H,31,41)(H,32,40);4-5,12,14-15H,2-3,6-11,13,16H2,1H3,(H,28,38)(H,29,37);4-5,12,14-15H,2-3,6-11,13,16H2,1H3,(H,27,37)(H,28,36);3-4,7,13-14H,1-2,5-6,8-12,15H2,(H,27,37)(H,28,36);1-6,8-9,14-16H,7,10-13H2,(H,26,35)(H,27,34)
InChIKeyGEJWMXPSXKKIDY-UHFFFAOYSA-N
XLogP9.81
TPSA671.85 Ų
H-Bond Donors10
H-Bond Acceptors49
Rotatable Bonds57
Heavy Atoms189
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002648.69
LogP ≤ 59.81
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

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

Analyze N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(3-fluoro-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide with MolForge

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Related Compounds

N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]triazole-4-carboxamide
CID 159858370
N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[2-fluoro-4-[4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide
CID 160827595
1-[2-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 118640768
1-[4-[4-[[2-[5-(1,1-difluoroethoxy)-2-fluorophenyl]acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[(4-methyl-2-pyridinyl)methyl]triazole-4-carboxamide
CID 146527768
1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 118640617
N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[3-fluoro-4-[4-[[2-(3-fluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide
CID 158228719
N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-1-[3-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide
CID 118653282
1-[3-fluoro-4-[4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
CID 118640150
N-[[3-(1,1-difluoroethoxy)phenyl]methyl]-1-[3-fluoro-4-[4-[(3-fluoro-2-pyridinyl)methylcarbamoyl]triazol-1-yl]butyl]triazole-4-carboxamide
CID 162124818
N-[(2-fluoro-5-methylphenyl)methyl]-1-[4-[4-[[2-(6-methyl-3-pyridinyl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide
CID 159810072
1-[2-fluoro-4-[4-[[2-[2-fluoro-5-(trifluoromethoxy)phenyl]acetyl]amino]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 118646630
1-[3-fluoro-4-[4-[(6-methyl-3-pyridinyl)methylcarbamoyl]triazol-1-yl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 118640398

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(3-fluoro-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The IUPAC name of N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(3-fluoro-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (CID 158231115) is N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(3-fluoro-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.
What is the SMILES notation for N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(3-fluoro-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The canonical SMILES for N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(3-fluoro-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CCCCn3cc(NC(=O)CN4CCC(F)(F)CC4)nn3)nn2)c1.Cc1ccc(CNC(=O)c2cn(CCCCn3cc(NC(=O)CN4CCC(F)(F)CC4)nn3)nn2)cn1.Cc1ccc(F)c(CNC(=O)c2cn(CCCCn3cc(NC(=O)CN4CCC(F)(F)CC4)nn3)nn2)c1.O=C(CN1CCC(F)(F)CC1)Nc1cn(CCCCn2cc(C(=O)NCc3ncccc3F)nn2)nn1.O=C(Cc1ccccn1)Nc1cn(CC(F)CCn2cc(C(=O)NCc3ccccn3)nn2)nn1.
What is the InChIKey of N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(3-fluoro-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
The InChIKey is GEJWMXPSXKKIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F5N9O3.C24H30F3N9O2.C23H30F2N10O2.C22H27F3N10O2.C22H23FN10O2/c1-24(27,28)42-18-4-5-19(26)17(12-18)13-31-23(41)20-14-38(35-33-20)8-2-3-9-39-15-21(34-36-39)32-22(40)16-37-10-6-25(29,30)7-11-37;1-17-4-5-19(25)18(12-17)13-28-23(38)20-14-35(32-30-20)8-2-3-9-36-15-21(31-33-36)29-22(37)16-34-10-6-24(26,27)7-11-34;1-17-4-5-18(12-26-17)13-27-22(37)19-14-34(31-29-19)8-2-3-9-35-15-20(30-32-35)28-21(36)16-33-10-6-23(24,25)7-11-33;23-16-4-3-7-26-17(16)12-27-21(37)18-13-34(31-29-18)8-1-2-9-35-14-19(30-32-35)28-20(36)15-33-10-5-22(24,25)6-11-33;23-16(13-33-15-20(29-31-33)27-21(34)11-17-5-1-3-8-24-17)7-10-32-14-19(28-30-32)22(35)26-12-18-6-2-4-9-25-18/h4-5,12,14-15H,2-3,6-11,13,16H2,1H3,(H,31,41)(H,32,40);4-5,12,14-15H,2-3,6-11,13,16H2,1H3,(H,28,38)(H,29,37);4-5,12,14-15H,2-3,6-11,13,16H2,1H3,(H,27,37)(H,28,36);3-4,7,13-14H,1-2,5-6,8-12,15H2,(H,27,37)(H,28,36);1-6,8-9,14-16H,7,10-13H2,(H,26,35)(H,27,34).
What are the key properties of N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(3-fluoro-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?
N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(3-fluoro-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 2648.69 g/mol, XLogP of 9.81, 57 rotatable bonds, 10 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]-1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(2-fluoro-5-methylphenyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(3-fluoro-2-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(4,4-difluoropiperidin-1-yl)acetyl]amino]triazol-1-yl]butyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[3-fluoro-4-[4-[(2-pyridin-2-ylacetyl)amino]triazol-1-yl]butyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 158231115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).