6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

C32H27F11N10O2 — CID 142362383

About 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine

6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (PubChem CID 142362383) has the molecular formula C32H27F11N10O2 and a molecular weight of 792.61 g/mol. Its IUPAC name is 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

Molecular Properties

• Compound Name: 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
• PubChem CID: 142362383
• Molecular Formula: C32H27F11N10O2
• Molecular Weight: 792.61 g/mol
• Exact Mass: 792.21
• IUPAC Name: 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine
• SMILES: CC.CC(F)c1nnc2cnc(-c3cnc(OC(C)C(F)(F)F)c(F)c3)cn12.Fc1cc(-c2cn3c(C(F)(F)F)nnc3cn2)cnc1OC1CC(F)(F)C1
• InChI: InChI=1S/C15H9F6N5O.C15H12F5N5O.C2H6/c16-9-1-7(4-23-12(9)27-8-2-14(17,18)3-8)10-6-26-11(5-22-10)24-25-13(26)15(19,20)21;1-7(16)13-24-23-12-5-21-11(6-25(12)13)9-3-10(17)14(22-4-9)26-8(2)15(18,19)20;1-2/h1,4-6,8H,2-3H2;3-8H,1-2H3;1-2H3
• InChIKey: ONPBGFXFMHNMAT-UHFFFAOYSA-N
• XLogP: 8.23
• TPSA: 130.40 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	792.61
LogP ≤ 5	8.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The IUPAC name of 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine (CID 142362383) is 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine.

What is the SMILES notation for 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The canonical SMILES for 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is CC.CC(F)c1nnc2cnc(-c3cnc(OC(C)C(F)(F)F)c(F)c3)cn12.Fc1cc(-c2cn3c(C(F)(F)F)nnc3cn2)cnc1OC1CC(F)(F)C1.

What is the InChIKey of 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

The InChIKey is ONPBGFXFMHNMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F6N5O.C15H12F5N5O.C2H6/c16-9-1-7(4-23-12(9)27-8-2-14(17,18)3-8)10-6-26-11(5-22-10)24-25-13(26)15(19,20)21;1-7(16)13-24-23-12-5-21-11(6-25(12)13)9-3-10(17)14(22-4-9)26-8(2)15(18,19)20;1-2/h1,4-6,8H,2-3H2;3-8H,1-2H3;1-2H3.

What are the key properties of 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine?

6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine has a molecular weight of 792.61 g/mol, XLogP of 8.23, 7 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-(3,3-difluorocyclobutyl)oxy-5-fluoro-3-pyridinyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyrazine;ethane;3-(1-fluoroethyl)-6-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-a]pyrazine is sourced from PubChem (CID 142362383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).