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

C23H14ClF8N5O2 — CID 164965214

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

3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2S)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (PubChem CID 164965214) has the molecular formula C23H14ClF8N5O2 and a molecular weight of 579.84 g/mol. Its IUPAC name is 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2S)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

• Compound Name: 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2S)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
• PubChem CID: 164965214
• Molecular Formula: C23H14ClF8N5O2
• Molecular Weight: 579.84 g/mol
• Exact Mass: 579.07
• IUPAC Name: 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2S)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
• SMILES: C=C1N[C@H](COc2ccc(-c3nc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)no3)cc2C(F)(F)F)CC1(F)F
• InChI: InChI=1S/C23H14ClF8N5O2/c1-10-21(25,26)6-13(33-10)9-38-17-3-2-11(4-14(17)23(30,31)32)20-35-18(36-39-20)16-8-37-7-12(22(27,28)29)5-15(24)19(37)34-16/h2-5,7-8,13,33H,1,6,9H2/t13-/m0/s1
• InChIKey: YQHCCGLJMRURIZ-ZDUSSCGKSA-N
• XLogP: 6.63
• TPSA: 77.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	579.84
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2S)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole (CID 164965214) is 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2S)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole.

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

The canonical SMILES for 3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2S)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is C=C1N[C@H](COc2ccc(-c3nc(-c4cn5cc(C(F)(F)F)cc(Cl)c5n4)no3)cc2C(F)(F)F)CC1(F)F.

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

The InChIKey is YQHCCGLJMRURIZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C23H14ClF8N5O2/c1-10-21(25,26)6-13(33-10)9-38-17-3-2-11(4-14(17)23(30,31)32)20-35-18(36-39-20)16-8-37-7-12(22(27,28)29)5-15(24)19(37)34-16/h2-5,7-8,13,33H,1,6,9H2/t13-/m0/s1.

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

3-[8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridin-2-yl]-5-[4-[[(2S)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole has a molecular weight of 579.84 g/mol, XLogP of 6.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 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-[4-[[(2S)-4,4-difluoro-5-methylidenepyrrolidin-2-yl]methoxy]-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 164965214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).