5-[(1R,5S)-8-[[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-3-methyl-1,2-thiazole

C25H23F4N5S — CID 158176852

About 5-[(1R,5S)-8-[[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-3-methyl-1,2-thiazole

5-[(1R,5S)-8-[[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-3-methyl-1,2-thiazole (PubChem CID 158176852) has the molecular formula C25H23F4N5S and a molecular weight of 501.55 g/mol. Its IUPAC name is 5-[(1R,5S)-8-[[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-3-methyl-1,2-thiazole.

Molecular Properties

• Compound Name: 5-[(1R,5S)-8-[[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-3-methyl-1,2-thiazole
• PubChem CID: 158176852
• Molecular Formula: C25H23F4N5S
• Molecular Weight: 501.55 g/mol
• Exact Mass: 501.16
• IUPAC Name: 5-[(1R,5S)-8-[[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-3-methyl-1,2-thiazole
• SMILES: Cc1cc(N2C[C@H]3CC[C@@H](C2)C3Cc2nc3c(-c4cc(F)ccc4C(F)(F)F)cccn3n2)sn1
• InChI: InChI=1S/C25H23F4N5S/c1-14-9-23(35-32-14)33-12-15-4-5-16(13-33)19(15)11-22-30-24-18(3-2-8-34(24)31-22)20-10-17(26)6-7-21(20)25(27,28)29/h2-3,6-10,15-16,19H,4-5,11-13H2,1H3/t15-,16+,19?
• InChIKey: FYCJUMPEPLYHON-MCPYQZEQSA-N
• XLogP: 6.02
• TPSA: 46.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	501.55
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,5S)-8-[[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-3-methyl-1,2-thiazole?

The IUPAC name of 5-[(1R,5S)-8-[[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-3-methyl-1,2-thiazole (CID 158176852) is 5-[(1R,5S)-8-[[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-3-methyl-1,2-thiazole.

What is the SMILES notation for 5-[(1R,5S)-8-[[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-3-methyl-1,2-thiazole?

The canonical SMILES for 5-[(1R,5S)-8-[[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-3-methyl-1,2-thiazole is Cc1cc(N2C[C@H]3CC[C@@H](C2)C3Cc2nc3c(-c4cc(F)ccc4C(F)(F)F)cccn3n2)sn1.

What is the InChIKey of 5-[(1R,5S)-8-[[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-3-methyl-1,2-thiazole?

The InChIKey is FYCJUMPEPLYHON-MCPYQZEQSA-N. The full InChI is InChI=1S/C25H23F4N5S/c1-14-9-23(35-32-14)33-12-15-4-5-16(13-33)19(15)11-22-30-24-18(3-2-8-34(24)31-22)20-10-17(26)6-7-21(20)25(27,28)29/h2-3,6-10,15-16,19H,4-5,11-13H2,1H3/t15-,16+,19?.

What are the key properties of 5-[(1R,5S)-8-[[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-3-methyl-1,2-thiazole?

5-[(1R,5S)-8-[[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-3-methyl-1,2-thiazole has a molecular weight of 501.55 g/mol, XLogP of 6.02, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(1R,5S)-8-[[8-[5-fluoro-2-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-3-azabicyclo[3.2.1]octan-3-yl]-3-methyl-1,2-thiazole is sourced from PubChem (CID 158176852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).