3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[3-methyl-4-[[(1S)-3-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole

C24H20ClF3N4O2 — CID 160580693

About 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[3-methyl-4-[[(1S)-3-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole

3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[3-methyl-4-[[(1S)-3-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole (PubChem CID 160580693) has the molecular formula C24H20ClF3N4O2 and a molecular weight of 488.90 g/mol. Its IUPAC name is 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[3-methyl-4-[[(1S)-3-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[3-methyl-4-[[(1S)-3-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole
• PubChem CID: 160580693
• Molecular Formula: C24H20ClF3N4O2
• Molecular Weight: 488.90 g/mol
• Exact Mass: 488.12
• IUPAC Name: 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[3-methyl-4-[[(1S)-3-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole
• SMILES: C=C1CC[C@H](COc2ccc(-c3nc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)no3)cc2C)C1
• InChI: InChI=1S/C24H20ClF3N4O2/c1-13-3-4-15(7-13)12-33-20-6-5-16(8-14(20)2)23-30-21(31-34-23)19-11-32-10-17(24(26,27)28)9-18(25)22(32)29-19/h5-6,8-11,15H,1,3-4,7,12H2,2H3/t15-/m0/s1
• InChIKey: WEABENYGUSCLHW-HNNXBMFYSA-N
• XLogP: 6.77
• TPSA: 65.45 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	488.90
LogP ≤ 5	6.77
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[3-methyl-4-[[(1S)-3-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole?

The IUPAC name of 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[3-methyl-4-[[(1S)-3-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole (CID 160580693) is 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[3-methyl-4-[[(1S)-3-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole.

What is the SMILES notation for 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[3-methyl-4-[[(1S)-3-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole?

The canonical SMILES for 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[3-methyl-4-[[(1S)-3-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole is C=C1CC[C@H](COc2ccc(-c3nc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)no3)cc2C)C1.

What is the InChIKey of 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[3-methyl-4-[[(1S)-3-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole?

The InChIKey is WEABENYGUSCLHW-HNNXBMFYSA-N. The full InChI is InChI=1S/C24H20ClF3N4O2/c1-13-3-4-15(7-13)12-33-20-6-5-16(8-14(20)2)23-30-21(31-34-23)19-11-32-10-17(24(26,27)28)9-18(25)22(32)29-19/h5-6,8-11,15H,1,3-4,7,12H2,2H3/t15-/m0/s1.

What are the key properties of 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[3-methyl-4-[[(1S)-3-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole?

3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[3-methyl-4-[[(1S)-3-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole has a molecular weight of 488.90 g/mol, XLogP of 6.77, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[3-methyl-4-[[(1S)-3-methylidenecyclopentyl]methoxy]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 160580693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).