3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,5-a]pyrimidine

C45H26F19N13O3 — CID 158296909

About 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,5-a]pyrimidine

3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,5-a]pyrimidine (PubChem CID 158296909) has the molecular formula C45H26F19N13O3 and a molecular weight of 1157.75 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,5-a]pyrimidine.

Molecular Properties

• Compound Name: 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,5-a]pyrimidine
• PubChem CID: 158296909
• Molecular Formula: C45H26F19N13O3
• Molecular Weight: 1157.75 g/mol
• Exact Mass: 1157.20
• IUPAC Name: 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,5-a]pyrimidine
• SMILES: CC(F)(F)c1nc(C#N)c2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.CC(F)(F)c1ncc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.Fc1cc(-c2cnc3cnc(C(F)(F)F)n3c2)cnc1OCC(F)(F)F
• InChI: InChI=1S/C16H9F6N5O.C15H10F6N4O.C14H7F7N4O/c1-15(18,19)14-26-10(3-23)12-5-24-11(6-27(12)14)8-2-9(17)13(25-4-8)28-7-16(20,21)22;1-14(17,18)13-24-5-9-4-22-11(6-25(9)13)8-2-10(16)12(23-3-8)26-7-15(19,20)21;15-9-1-7(2-23-11(9)26-6-13(16,17)18)8-3-22-10-4-24-12(14(19,20)21)25(10)5-8/h2,4-6H,7H2,1H3;2-6H,7H2,1H3;1-5H,6H2
• InChIKey: GMAHINQDFDGVFU-UHFFFAOYSA-N
• XLogP: 11.73
• TPSA: 180.72 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 11
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1157.75
LogP ≤ 5	11.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,5-a]pyrimidine?

The IUPAC name of 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,5-a]pyrimidine (CID 158296909) is 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,5-a]pyrimidine.

What is the SMILES notation for 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,5-a]pyrimidine?

The canonical SMILES for 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,5-a]pyrimidine is CC(F)(F)c1nc(C#N)c2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.CC(F)(F)c1ncc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.Fc1cc(-c2cnc3cnc(C(F)(F)F)n3c2)cnc1OCC(F)(F)F.

What is the InChIKey of 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,5-a]pyrimidine?

The InChIKey is GMAHINQDFDGVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F6N5O.C15H10F6N4O.C14H7F7N4O/c1-15(18,19)14-26-10(3-23)12-5-24-11(6-27(12)14)8-2-9(17)13(25-4-8)28-7-16(20,21)22;1-14(17,18)13-24-5-9-4-22-11(6-25(9)13)8-2-10(16)12(23-3-8)26-7-15(19,20)21;15-9-1-7(2-23-11(9)26-6-13(16,17)18)8-3-22-10-4-24-12(14(19,20)21)25(10)5-8/h2,4-6H,7H2,1H3;2-6H,7H2,1H3;1-5H,6H2.

What are the key properties of 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,5-a]pyrimidine?

3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,5-a]pyrimidine has a molecular weight of 1157.75 g/mol, XLogP of 11.73, 11 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-6-(trifluoromethyl)imidazo[1,5-a]pyrimidine is sourced from PubChem (CID 158296909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).