5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2S)-4,4-dideuterio-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole

C23H19ClF3N5O2 — CID 162058439

About 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2S)-4,4-dideuterio-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole

5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2S)-4,4-dideuterio-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole (PubChem CID 162058439) has the molecular formula C23H19ClF3N5O2 and a molecular weight of 491.90 g/mol. Its IUPAC name is 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2S)-4,4-dideuterio-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2S)-4,4-dideuterio-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole
• PubChem CID: 162058439
• Molecular Formula: C23H19ClF3N5O2
• Molecular Weight: 491.90 g/mol
• Exact Mass: 491.13
• IUPAC Name: 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2S)-4,4-dideuterio-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole
• SMILES: [2H]C1([2H])C[C@@H](COc2ccc(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2C)NC1=C
• InChI: InChI=1S/C23H19ClF3N5O2/c1-12-7-14(4-6-19(12)33-11-16-5-3-13(2)28-16)20-30-22(34-31-20)18-10-32-9-15(23(25,26)27)8-17(24)21(32)29-18/h4,6-10,16,28H,2-3,5,11H2,1H3/t16-/m0/s1/i3D2
• InChIKey: GSUPHLOWKQYNFJ-ZRRGJKRWSA-N
• XLogP: 5.68
• TPSA: 77.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	491.90
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2S)-4,4-dideuterio-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole (CID 162058439) is 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2S)-4,4-dideuterio-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole.

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

The canonical SMILES for 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2S)-4,4-dideuterio-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole is [2H]C1([2H])C[C@@H](COc2ccc(-c3noc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)n3)cc2C)NC1=C.

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

The InChIKey is GSUPHLOWKQYNFJ-ZRRGJKRWSA-N. The full InChI is InChI=1S/C23H19ClF3N5O2/c1-12-7-14(4-6-19(12)33-11-16-5-3-13(2)28-16)20-30-22(34-31-20)18-10-32-9-15(23(25,26)27)8-17(24)21(32)29-18/h4,6-10,16,28H,2-3,5,11H2,1H3/t16-/m0/s1/i3D2.

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

5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2S)-4,4-dideuterio-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole has a molecular weight of 491.90 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-3-[4-[[(2S)-4,4-dideuterio-5-methylidenepyrrolidin-2-yl]methoxy]-3-methylphenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 162058439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).