ethane;3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

C35H33F11N10O4 — CID 153370898

About ethane;3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

ethane;3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 153370898) has the molecular formula C35H33F11N10O4 and a molecular weight of 866.69 g/mol. Its IUPAC name is ethane;3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: ethane;3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 153370898
• Molecular Formula: C35H33F11N10O4
• Molecular Weight: 866.69 g/mol
• Exact Mass: 866.25
• IUPAC Name: ethane;3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: CC.CCOC(F)(F)c1nnc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.COC(C)(F)c1nnc2cnc(-c3cnc(OC4(C(F)(F)F)CCC4)c(F)c3)cn12
• InChI: InChI=1S/C18H16F5N5O2.C15H11F6N5O2.C2H6/c1-16(20,29-2)15-27-26-13-8-24-12(9-28(13)15)10-6-11(19)14(25-7-10)30-17(4-3-5-17)18(21,22)23;1-2-28-15(20,21)13-25-24-11-5-22-10(6-26(11)13)8-3-9(16)12(23-4-8)27-7-14(17,18)19;1-2/h6-9H,3-5H2,1-2H3;3-6H,2,7H2,1H3;1-2H3
• InChIKey: IOXPJOVFCVYSFD-UHFFFAOYSA-N
• XLogP: 8.36
• TPSA: 148.86 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 11
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	866.69
LogP ≤ 5	8.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of ethane;3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The IUPAC name of ethane;3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 153370898) is ethane;3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

What is the SMILES notation for ethane;3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The canonical SMILES for ethane;3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is CC.CCOC(F)(F)c1nnc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.COC(C)(F)c1nnc2cnc(-c3cnc(OC4(C(F)(F)F)CCC4)c(F)c3)cn12.

What is the InChIKey of ethane;3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The InChIKey is IOXPJOVFCVYSFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F5N5O2.C15H11F6N5O2.C2H6/c1-16(20,29-2)15-27-26-13-8-24-12(9-28(13)15)10-6-11(19)14(25-7-10)30-17(4-3-5-17)18(21,22)23;1-2-28-15(20,21)13-25-24-11-5-22-10(6-26(11)13)8-3-9(16)12(23-4-8)27-7-14(17,18)19;1-2/h6-9H,3-5H2,1-2H3;3-6H,2,7H2,1H3;1-2H3.

What are the key properties of ethane;3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

ethane;3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 866.69 g/mol, XLogP of 8.36, 11 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;3-[ethoxy(difluoro)methyl]-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine;3-(1-fluoro-1-methoxyethyl)-6-[5-fluoro-6-[1-(trifluoromethyl)cyclobutyl]oxy-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 153370898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).