N-[(S)-(4,4-difluorocyclohexyl)-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide

C25H26F8N6O3 — CID 162715411

About N-[(S)-(4,4-difluorocyclohexyl)-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide

N-[(S)-(4,4-difluorocyclohexyl)-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide (PubChem CID 162715411) has the molecular formula C25H26F8N6O3 and a molecular weight of 610.51 g/mol. Its IUPAC name is N-[(S)-(4,4-difluorocyclohexyl)-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[(S)-(4,4-difluorocyclohexyl)-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
• PubChem CID: 162715411
• Molecular Formula: C25H26F8N6O3
• Molecular Weight: 610.51 g/mol
• Exact Mass: 610.19
• IUPAC Name: N-[(S)-(4,4-difluorocyclohexyl)-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide
• SMILES: CCc1nonc1C(=O)N[C@H](c1cn2ccc(C(CC(F)F)C(=O)NCC(F)(F)F)c(F)c2n1)C1CCC(F)(F)CC1
• InChI: InChI=1S/C25H26F8N6O3/c1-2-15-20(38-42-37-15)23(41)36-19(12-3-6-24(29,30)7-4-12)16-10-39-8-5-13(18(28)21(39)35-16)14(9-17(26)27)22(40)34-11-25(31,32)33/h5,8,10,12,14,17,19H,2-4,6-7,9,11H2,1H3,(H,34,40)(H,36,41)/t14?,19-/m0/s1
• InChIKey: YHRQRCIWCCWHGK-PKDNWHCCSA-N
• XLogP: 5.13
• TPSA: 114.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	610.51
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(S)-(4,4-difluorocyclohexyl)-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide?

The IUPAC name of N-[(S)-(4,4-difluorocyclohexyl)-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide (CID 162715411) is N-[(S)-(4,4-difluorocyclohexyl)-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide.

What is the SMILES notation for N-[(S)-(4,4-difluorocyclohexyl)-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide?

The canonical SMILES for N-[(S)-(4,4-difluorocyclohexyl)-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide is CCc1nonc1C(=O)N[C@H](c1cn2ccc(C(CC(F)F)C(=O)NCC(F)(F)F)c(F)c2n1)C1CCC(F)(F)CC1.

What is the InChIKey of N-[(S)-(4,4-difluorocyclohexyl)-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide?

The InChIKey is YHRQRCIWCCWHGK-PKDNWHCCSA-N. The full InChI is InChI=1S/C25H26F8N6O3/c1-2-15-20(38-42-37-15)23(41)36-19(12-3-6-24(29,30)7-4-12)16-10-39-8-5-13(18(28)21(39)35-16)14(9-17(26)27)22(40)34-11-25(31,32)33/h5,8,10,12,14,17,19H,2-4,6-7,9,11H2,1H3,(H,34,40)(H,36,41)/t14?,19-/m0/s1.

What are the key properties of N-[(S)-(4,4-difluorocyclohexyl)-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide?

N-[(S)-(4,4-difluorocyclohexyl)-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide has a molecular weight of 610.51 g/mol, XLogP of 5.13, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(S)-(4,4-difluorocyclohexyl)-[7-[4,4-difluoro-1-oxo-1-(2,2,2-trifluoroethylamino)butan-2-yl]-8-fluoroimidazo[1,2-a]pyridin-2-yl]methyl]-4-ethyl-1,2,5-oxadiazole-3-carboxamide is sourced from PubChem (CID 162715411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).