1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

C87H99F17N38O10 — CID 157133355

About 1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide

1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (PubChem CID 157133355) has the molecular formula C87H99F17N38O10 and a molecular weight of 2159.97 g/mol. Its IUPAC name is 1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
• PubChem CID: 157133355
• Molecular Formula: C87H99F17N38O10
• Molecular Weight: 2159.97 g/mol
• Exact Mass: 2158.81
• IUPAC Name: 1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide
• SMILES: CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CCC(F)Cn3cc(NC(=O)CN4CC(F)(F)C4)nn3)nn2)c1.CC(F)(F)Oc1cccc(CNC(=O)c2cn(CCC(F)Cn3cc(NC(=O)CN4CC(F)(F)C4)nn3)nn2)c1.Cc1ccc(CNC(=O)c2cn(CCC(F)Cn3cc(NC(=O)CN4CC(F)(F)C4)nn3)nn2)cn1.O=C(CN1CC(F)(F)C1)Nc1cn(CC(F)CCn2cc(C(=O)NCc3ccccn3)nn2)nn1
• InChI: InChI=1S/C23H25F6N9O3.C23H26F5N9O3.C21H25F3N10O2.C20H23F3N10O2/c1-22(26,27)41-16-2-3-17(25)14(6-16)7-30-21(40)18-9-37(34-32-18)5-4-15(24)8-38-10-19(33-35-38)31-20(39)11-36-12-23(28,29)13-36;1-22(25,26)40-17-4-2-3-15(7-17)8-29-21(39)18-10-36(33-31-18)6-5-16(24)9-37-11-19(32-34-37)30-20(38)12-35-13-23(27,28)14-35;1-14-2-3-15(6-25-14)7-26-20(36)17-9-33(30-28-17)5-4-16(22)8-34-10-18(29-31-34)27-19(35)11-32-12-21(23,24)13-32;21-14(8-33-10-17(28-30-33)26-18(34)11-31-12-20(22,23)13-31)4-6-32-9-16(27-29-32)19(35)25-7-15-3-1-2-5-24-15/h2-3,6,9-10,15H,4-5,7-8,11-13H2,1H3,(H,30,40)(H,31,39);2-4,7,10-11,16H,5-6,8-9,12-14H2,1H3,(H,29,39)(H,30,38);2-3,6,9-10,16H,4-5,7-8,11-13H2,1H3,(H,26,36)(H,27,35);1-3,5,9-10,14H,4,6-8,11-13H2,(H,25,35)(H,26,34)
• InChIKey: AJIHLPQFXOAQDJ-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 535.68 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 40
• Rotatable Bonds: 48
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2159.97
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	40

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?

The IUPAC name of 1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide (CID 157133355) is 1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide.

What is the SMILES notation for 1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?

The canonical SMILES for 1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is CC(F)(F)Oc1ccc(F)c(CNC(=O)c2cn(CCC(F)Cn3cc(NC(=O)CN4CC(F)(F)C4)nn3)nn2)c1.CC(F)(F)Oc1cccc(CNC(=O)c2cn(CCC(F)Cn3cc(NC(=O)CN4CC(F)(F)C4)nn3)nn2)c1.Cc1ccc(CNC(=O)c2cn(CCC(F)Cn3cc(NC(=O)CN4CC(F)(F)C4)nn3)nn2)cn1.O=C(CN1CC(F)(F)C1)Nc1cn(CC(F)CCn2cc(C(=O)NCc3ccccn3)nn2)nn1.

What is the InChIKey of 1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?

The InChIKey is AJIHLPQFXOAQDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25F6N9O3.C23H26F5N9O3.C21H25F3N10O2.C20H23F3N10O2/c1-22(26,27)41-16-2-3-17(25)14(6-16)7-30-21(40)18-9-37(34-32-18)5-4-15(24)8-38-10-19(33-35-38)31-20(39)11-36-12-23(28,29)13-36;1-22(25,26)40-17-4-2-3-15(7-17)8-29-21(39)18-10-36(33-31-18)6-5-16(24)9-37-11-19(32-34-37)30-20(38)12-35-13-23(27,28)14-35;1-14-2-3-15(6-25-14)7-26-20(36)17-9-33(30-28-17)5-4-16(22)8-34-10-18(29-31-34)27-19(35)11-32-12-21(23,24)13-32;21-14(8-33-10-17(28-30-33)26-18(34)11-31-12-20(22,23)13-31)4-6-32-9-16(27-29-32)19(35)25-7-15-3-1-2-5-24-15/h2-3,6,9-10,15H,4-5,7-8,11-13H2,1H3,(H,30,40)(H,31,39);2-4,7,10-11,16H,5-6,8-9,12-14H2,1H3,(H,29,39)(H,30,38);2-3,6,9-10,16H,4-5,7-8,11-13H2,1H3,(H,26,36)(H,27,35);1-3,5,9-10,14H,4,6-8,11-13H2,(H,25,35)(H,26,34).

What are the key properties of 1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide?

1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide has a molecular weight of 2159.97 g/mol, XLogP of 5.69, 48 rotatable bonds, 8 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[5-(1,1-difluoroethoxy)-2-fluorophenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[[3-(1,1-difluoroethoxy)phenyl]methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-[(6-methyl-3-pyridinyl)methyl]triazole-4-carboxamide;1-[4-[4-[[2-(3,3-difluoroazetidin-1-yl)acetyl]amino]triazol-1-yl]-3-fluorobutyl]-N-(pyridin-2-ylmethyl)triazole-4-carboxamide is sourced from PubChem (CID 157133355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).