7-[ethoxy(difluoro)methyl]-2-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-b]pyridazine

C16H12F6N4O2 — CID 164820112

IUPAC7-[ethoxy(difluoro)methyl]-2-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-b]pyridazine
SMILESCCOC(F)(F)c1ncc2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)nn12
InChIInChI=1S/C16H12F6N4O2/c1-2-28-16(21,22)14-24-7-10-3-4-12(25-26(10)14)9-5-11(17)13(23-6-9)27-8-15(18,19)20/h3-7H,2,8H2,1H3
InChIKeyNODZGOPCUWIPMV-UHFFFAOYSA-N
MW406.29 g/mol
LogP3.96
Rot. Bonds6

About 7-[ethoxy(difluoro)methyl]-2-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-b]pyridazine

7-[ethoxy(difluoro)methyl]-2-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-b]pyridazine (PubChem CID 164820112) has the molecular formula C16H12F6N4O2 and a molecular weight of 406.29 g/mol. Its IUPAC name is 7-[ethoxy(difluoro)methyl]-2-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-b]pyridazine.

Molecular Properties

Compound Name7-[ethoxy(difluoro)methyl]-2-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-b]pyridazine
PubChem CID164820112
Molecular FormulaC16H12F6N4O2
Molecular Weight406.29 g/mol
Exact Mass406.09
IUPAC Name7-[ethoxy(difluoro)methyl]-2-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-b]pyridazine
SMILESCCOC(F)(F)c1ncc2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)nn12
InChIInChI=1S/C16H12F6N4O2/c1-2-28-16(21,22)14-24-7-10-3-4-12(25-26(10)14)9-5-11(17)13(23-6-9)27-8-15(18,19)20/h3-7H,2,8H2,1H3
InChIKeyNODZGOPCUWIPMV-UHFFFAOYSA-N
XLogP3.96
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.29
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[ethoxy(difluoro)methyl]-2-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-b]pyridazine?
The IUPAC name of 7-[ethoxy(difluoro)methyl]-2-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-b]pyridazine (CID 164820112) is 7-[ethoxy(difluoro)methyl]-2-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-b]pyridazine.
What is the SMILES notation for 7-[ethoxy(difluoro)methyl]-2-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-b]pyridazine?
The canonical SMILES for 7-[ethoxy(difluoro)methyl]-2-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-b]pyridazine is CCOC(F)(F)c1ncc2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)nn12.
What is the InChIKey of 7-[ethoxy(difluoro)methyl]-2-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-b]pyridazine?
The InChIKey is NODZGOPCUWIPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F6N4O2/c1-2-28-16(21,22)14-24-7-10-3-4-12(25-26(10)14)9-5-11(17)13(23-6-9)27-8-15(18,19)20/h3-7H,2,8H2,1H3.
What are the key properties of 7-[ethoxy(difluoro)methyl]-2-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-b]pyridazine?
7-[ethoxy(difluoro)methyl]-2-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-b]pyridazine has a molecular weight of 406.29 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[ethoxy(difluoro)methyl]-2-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-b]pyridazine is sourced from PubChem (CID 164820112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).