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;ethane

C35H34F11N7O2 — CID 142362580

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;ethane
SMILESCC.CC.CC(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.2C2H6/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;2*1-2/h2-8H,9H2,1H3;2-6H,7H2,1H3;2*1-2H3
InChIKeyGGHWGLPJVWQJMK-UHFFFAOYSA-N
MW793.68 g/mol
LogP10.48
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;ethane

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;ethane (PubChem CID 142362580) has the molecular formula C35H34F11N7O2 and a molecular weight of 793.68 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;ethane.

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;ethane
PubChem CID142362580
Molecular FormulaC35H34F11N7O2
Molecular Weight793.68 g/mol
Exact Mass793.26
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;ethane
SMILESCC.CC.CC(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.2C2H6/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;2*1-2/h2-8H,9H2,1H3;2-6H,7H2,1H3;2*1-2H3
InChIKeyGGHWGLPJVWQJMK-UHFFFAOYSA-N
XLogP10.48
TPSA91.73 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500793.68
LogP ≤ 510.48
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;ethane with MolForge

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Related Compounds

7-Methyl-3-[4-[(2-methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 146659124
3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
4-[2-Methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336101
6-Methyl-5-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[1,2-a]pyrazine
CID 92044504
3-(4-Propan-2-yloxyphenyl)-6-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179257
6-(4-Propan-2-yloxyphenyl)-3-(6-propan-2-yloxy-3-pyridinyl)imidazo[1,2-a]pyridine
CID 134179269
7-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179283
3-(4-Cyclopropyloxyphenyl)-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179286
5-Methyl-3,6-bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179296
3-[4-[(2-Methylpropan-2-yl)oxy]phenyl]-6-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179301
3,6-Bis(4-isopropoxyphenyl)imidazo[1,2-a]pyridine
CID 134179604
6-[4-[(2-Methylpropan-2-yl)oxy]phenyl]-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179851

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;ethane?
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;ethane (CID 142362580) 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;ethane.
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;ethane?
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;ethane is CC.CC.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;ethane?
The InChIKey is GGHWGLPJVWQJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F5N3O.C15H10F6N4O.2C2H6/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;2*1-2/h2-8H,9H2,1H3;2-6H,7H2,1H3;2*1-2H3.
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;ethane?
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;ethane has a molecular weight of 793.68 g/mol, XLogP of 10.48, 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;ethane is sourced from PubChem (CID 142362580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).