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

C31H22F11N7O2 — CID 161247738

IUPAC3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine
SMILESCC(F)(F)c1cnc2ccc(-c3ccc(OCC(F)(F)F)nc3)cn12.CC(F)(F)c1cnc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12
InChIInChI=1S/C16H12F5N3O.C15H10F6N4O/c1-15(17,18)12-7-22-13-4-2-11(8-24(12)13)10-3-5-14(23-6-10)25-9-16(19,20)21;1-14(17,18)11-4-23-12-5-22-10(6-25(11)12)8-2-9(16)13(24-3-8)26-7-15(19,20)21/h2-8H,9H2,1H3;2-6H,7H2,1H3
InChIKeyVAVXRJBHEYWIDJ-UHFFFAOYSA-N
MW733.54 g/mol
LogP8.43
Rot. Bonds8

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

3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine (PubChem CID 161247738) has the molecular formula C31H22F11N7O2 and a molecular weight of 733.54 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine
PubChem CID161247738
Molecular FormulaC31H22F11N7O2
Molecular Weight733.54 g/mol
Exact Mass733.17
IUPAC Name3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine
SMILESCC(F)(F)c1cnc2ccc(-c3ccc(OCC(F)(F)F)nc3)cn12.CC(F)(F)c1cnc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12
InChIInChI=1S/C16H12F5N3O.C15H10F6N4O/c1-15(17,18)12-7-22-13-4-2-11(8-24(12)13)10-3-5-14(23-6-10)25-9-16(19,20)21;1-14(17,18)11-4-23-12-5-22-10(6-25(11)12)8-2-9(16)13(24-3-8)26-7-15(19,20)21/h2-8H,9H2,1H3;2-6H,7H2,1H3
InChIKeyVAVXRJBHEYWIDJ-UHFFFAOYSA-N
XLogP8.43
TPSA91.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500733.54
LogP ≤ 58.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine?
The IUPAC name of 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine (CID 161247738) is 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine is CC(F)(F)c1cnc2ccc(-c3ccc(OCC(F)(F)F)nc3)cn12.CC(F)(F)c1cnc2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.
What is the InChIKey of 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine?
The InChIKey is VAVXRJBHEYWIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F5N3O.C15H10F6N4O/c1-15(17,18)12-7-22-13-4-2-11(8-24(12)13)10-3-5-14(23-6-10)25-9-16(19,20)21;1-14(17,18)11-4-23-12-5-22-10(6-25(11)12)8-2-9(16)13(24-3-8)26-7-15(19,20)21/h2-8H,9H2,1H3;2-6H,7H2,1H3.
What are the key properties of 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine?
3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine has a molecular weight of 733.54 g/mol, XLogP of 8.43, 8 rotatable bonds, 0 hydrogen bond donors, and 9 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[1,2-a]pyrazine;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 161247738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).