8-methyl-5-(2,2,2-trifluoroethoxy)-2-[[(1R,5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

C23H23F6N5O — CID 148944605

About 8-methyl-5-(2,2,2-trifluoroethoxy)-2-[[(1R,5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

8-methyl-5-(2,2,2-trifluoroethoxy)-2-[[(1R,5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 148944605) has the molecular formula C23H23F6N5O and a molecular weight of 499.46 g/mol. Its IUPAC name is 8-methyl-5-(2,2,2-trifluoroethoxy)-2-[[(1R,5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

• Compound Name: 8-methyl-5-(2,2,2-trifluoroethoxy)-2-[[(1R,5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
• PubChem CID: 148944605
• Molecular Formula: C23H23F6N5O
• Molecular Weight: 499.46 g/mol
• Exact Mass: 499.18
• IUPAC Name: 8-methyl-5-(2,2,2-trifluoroethoxy)-2-[[(1R,5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
• SMILES: Cc1ccc(OCC(F)(F)F)n2nc(CC3[C@@H]4CC[C@H]3CN(c3ccnc(C(F)(F)F)c3)C4)nc12
• InChI: InChI=1S/C23H23F6N5O/c1-13-2-5-20(35-12-22(24,25)26)34-21(13)31-19(32-34)9-17-14-3-4-15(17)11-33(10-14)16-6-7-30-18(8-16)23(27,28)29/h2,5-8,14-15,17H,3-4,9-12H2,1H3/t14-,15+,17?
• InChIKey: PORLHELSAIZTKY-FKEKPDDDSA-N
• XLogP: 5.10
• TPSA: 55.55 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.46
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 8-methyl-5-(2,2,2-trifluoroethoxy)-2-[[(1R,5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 148944605) is 8-methyl-5-(2,2,2-trifluoroethoxy)-2-[[(1R,5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

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

The canonical SMILES for 8-methyl-5-(2,2,2-trifluoroethoxy)-2-[[(1R,5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1ccc(OCC(F)(F)F)n2nc(CC3[C@@H]4CC[C@H]3CN(c3ccnc(C(F)(F)F)c3)C4)nc12.

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

The InChIKey is PORLHELSAIZTKY-FKEKPDDDSA-N. The full InChI is InChI=1S/C23H23F6N5O/c1-13-2-5-20(35-12-22(24,25)26)34-21(13)31-19(32-34)9-17-14-3-4-15(17)11-33(10-14)16-6-7-30-18(8-16)23(27,28)29/h2,5-8,14-15,17H,3-4,9-12H2,1H3/t14-,15+,17?.

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

8-methyl-5-(2,2,2-trifluoroethoxy)-2-[[(1R,5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 499.46 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-methyl-5-(2,2,2-trifluoroethoxy)-2-[[(1R,5S)-3-[2-(trifluoromethyl)-4-pyridinyl]-3-azabicyclo[3.2.1]octan-8-yl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 148944605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).