N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2S,4S)-1-[(2S)-5,5-difluorooxane-2-carbonyl]-4-hydroxypiperidin-2-yl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide

C27H32F4N8O5 — CID 166454781

About N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2S,4S)-1-[(2S)-5,5-difluorooxane-2-carbonyl]-4-hydroxypiperidin-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-[(2S,4S)-1-[(2S)-5,5-difluorooxane-2-carbonyl]-4-hydroxypiperidin-2-yl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 166454781) has the molecular formula C27H32F4N8O5 and a molecular weight of 624.60 g/mol. Its IUPAC name is N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2S,4S)-1-[(2S)-5,5-difluorooxane-2-carbonyl]-4-hydroxypiperidin-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-[(2S,4S)-1-[(2S)-5,5-difluorooxane-2-carbonyl]-4-hydroxypiperidin-2-yl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 166454781
• Molecular Formula: C27H32F4N8O5
• Molecular Weight: 624.60 g/mol
• Exact Mass: 624.24
• IUPAC Name: N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2S,4S)-1-[(2S)-5,5-difluorooxane-2-carbonyl]-4-hydroxypiperidin-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@@H](O)CCN3C(=O)[C@@H]3CCC(F)(F)CO3)nc2n1)C1CCC(F)(F)CC1
• InChI: InChI=1S/C27H32F4N8O5/c1-14-21(37-44-36-14)23(41)35-22(15-2-6-26(28,29)7-3-15)18-12-39-25(34-18)33-17(11-32-39)19-10-16(40)5-9-38(19)24(42)20-4-8-27(30,31)13-43-20/h11-12,15-16,19-20,22,40H,2-10,13H2,1H3,(H,35,41)/t16-,19-,20-,22-/m0/s1
• InChIKey: YDIZFIBCAQWRMC-CJFIXGCPSA-N
• XLogP: 2.95
• TPSA: 160.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.60
LogP ≤ 5	2.95
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2S,4S)-1-[(2S)-5,5-difluorooxane-2-carbonyl]-4-hydroxypiperidin-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-[(2S,4S)-1-[(2S)-5,5-difluorooxane-2-carbonyl]-4-hydroxypiperidin-2-yl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide (CID 166454781) is N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2S,4S)-1-[(2S)-5,5-difluorooxane-2-carbonyl]-4-hydroxypiperidin-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-[(2S,4S)-1-[(2S)-5,5-difluorooxane-2-carbonyl]-4-hydroxypiperidin-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-[(2S,4S)-1-[(2S)-5,5-difluorooxane-2-carbonyl]-4-hydroxypiperidin-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@@H](O)CCN3C(=O)[C@@H]3CCC(F)(F)CO3)nc2n1)C1CCC(F)(F)CC1.

What is the InChIKey of N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2S,4S)-1-[(2S)-5,5-difluorooxane-2-carbonyl]-4-hydroxypiperidin-2-yl]imidazo[1,2-b][1,2,4]triazin-6-yl]methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide?

The InChIKey is YDIZFIBCAQWRMC-CJFIXGCPSA-N. The full InChI is InChI=1S/C27H32F4N8O5/c1-14-21(37-44-36-14)23(41)35-22(15-2-6-26(28,29)7-3-15)18-12-39-25(34-18)33-17(11-32-39)19-10-16(40)5-9-38(19)24(42)20-4-8-27(30,31)13-43-20/h11-12,15-16,19-20,22,40H,2-10,13H2,1H3,(H,35,41)/t16-,19-,20-,22-/m0/s1.

What are the key properties of N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2S,4S)-1-[(2S)-5,5-difluorooxane-2-carbonyl]-4-hydroxypiperidin-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-[(2S,4S)-1-[(2S)-5,5-difluorooxane-2-carbonyl]-4-hydroxypiperidin-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 624.60 g/mol, XLogP of 2.95, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-(4,4-difluorocyclohexyl)-[3-[(2S,4S)-1-[(2S)-5,5-difluorooxane-2-carbonyl]-4-hydroxypiperidin-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 166454781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).