N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2R,4S)-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-hydroxy-4-(trifluoromethyl)piperidin-2-yl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C28H30F6N8O4 — CID 166454794

About N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2R,4S)-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-hydroxy-4-(trifluoromethyl)piperidin-2-yl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2R,4S)-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-hydroxy-4-(trifluoromethyl)piperidin-2-yl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 166454794) has the molecular formula C28H30F6N8O4 and a molecular weight of 656.59 g/mol. Its IUPAC name is N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2R,4S)-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-hydroxy-4-(trifluoromethyl)piperidin-2-yl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2R,4S)-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-hydroxy-4-(trifluoromethyl)piperidin-2-yl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 166454794
• Molecular Formula: C28H30F6N8O4
• Molecular Weight: 656.59 g/mol
• Exact Mass: 656.23
• IUPAC Name: N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2R,4S)-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-hydroxy-4-(trifluoromethyl)piperidin-2-yl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• SMILES: Cc1nonc1C(=O)N[C@H](c1cn2ncc([C@H]3C[C@](O)(C(F)(F)F)CCN3C(=O)C34CC(F)(C3)C4)nc2n1)C1CCC(F)(F)CC1
• InChI: InChI=1S/C28H30F6N8O4/c1-14-19(40-46-39-14)21(43)38-20(15-2-4-27(30,31)5-3-15)17-10-42-23(37-17)36-16(9-35-42)18-8-26(45,28(32,33)34)6-7-41(18)22(44)24-11-25(29,12-24)13-24/h9-10,15,18,20,45H,2-8,11-13H2,1H3,(H,38,43)/t18-,20+,24?,25?,26+/m1/s1
• InChIKey: SEGGDMAEWIIMNJ-WMPDDDMLSA-N
• XLogP: 3.96
• TPSA: 151.64 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	656.59
LogP ≤ 5	3.96
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2R,4S)-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-hydroxy-4-(trifluoromethyl)piperidin-2-yl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The IUPAC name of N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2R,4S)-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-hydroxy-4-(trifluoromethyl)piperidin-2-yl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 166454794) is N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2R,4S)-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-hydroxy-4-(trifluoromethyl)piperidin-2-yl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide.

What is the SMILES notation for N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2R,4S)-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-hydroxy-4-(trifluoromethyl)piperidin-2-yl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The canonical SMILES for N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2R,4S)-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-hydroxy-4-(trifluoromethyl)piperidin-2-yl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is Cc1nonc1C(=O)N[C@H](c1cn2ncc([C@H]3C[C@](O)(C(F)(F)F)CCN3C(=O)C34CC(F)(C3)C4)nc2n1)C1CCC(F)(F)CC1.

What is the InChIKey of N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2R,4S)-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-hydroxy-4-(trifluoromethyl)piperidin-2-yl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The InChIKey is SEGGDMAEWIIMNJ-WMPDDDMLSA-N. The full InChI is InChI=1S/C28H30F6N8O4/c1-14-19(40-46-39-14)21(43)38-20(15-2-4-27(30,31)5-3-15)17-10-42-23(37-17)36-16(9-35-42)18-8-26(45,28(32,33)34)6-7-41(18)22(44)24-11-25(29,12-24)13-24/h9-10,15,18,20,45H,2-8,11-13H2,1H3,(H,38,43)/t18-,20+,24?,25?,26+/m1/s1.

What are the key properties of N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2R,4S)-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-hydroxy-4-(trifluoromethyl)piperidin-2-yl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2R,4S)-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-hydroxy-4-(trifluoromethyl)piperidin-2-yl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 656.59 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2R,4S)-1-(3-fluorobicyclo[1.1.1]pentane-1-carbonyl)-4-hydroxy-4-(trifluoromethyl)piperidin-2-yl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 166454794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).