3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;ethane;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine

C33H27F12N7O3 — CID 142362602

IUPAC3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;ethane;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)cnc2cn1.Fc1cc(-c2cn3c(C(F)(F)F)cnc3cn2)cnc1OCC(F)(F)F
InChIInChI=1S/C17H14F5N3O2.C14H7F7N4O.C2H6/c1-16(18,19)14-6-24-15-7-23-13(8-25(14)15)12-4-3-11(27-17(20,21)22)5-10(12)9-26-2;15-8-1-7(2-24-12(8)26-6-13(16,17)18)9-5-25-10(14(19,20)21)3-23-11(25)4-22-9;1-2/h3-8H,9H2,1-2H3;1-5H,6H2;1-2H3
InChIKeyUBAGCCKYRKPUSY-UHFFFAOYSA-N
MW797.60 g/mol
LogP9.47
Rot. Bonds8

About 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;ethane;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine

3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;ethane;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 142362602) has the molecular formula C33H27F12N7O3 and a molecular weight of 797.60 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;ethane;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;ethane;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID142362602
Molecular FormulaC33H27F12N7O3
Molecular Weight797.60 g/mol
Exact Mass797.20
IUPAC Name3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;ethane;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)cnc2cn1.Fc1cc(-c2cn3c(C(F)(F)F)cnc3cn2)cnc1OCC(F)(F)F
InChIInChI=1S/C17H14F5N3O2.C14H7F7N4O.C2H6/c1-16(18,19)14-6-24-15-7-23-13(8-25(14)15)12-4-3-11(27-17(20,21)22)5-10(12)9-26-2;15-8-1-7(2-24-12(8)26-6-13(16,17)18)9-5-25-10(14(19,20)21)3-23-11(25)4-22-9;1-2/h3-8H,9H2,1-2H3;1-5H,6H2;1-2H3
InChIKeyUBAGCCKYRKPUSY-UHFFFAOYSA-N
XLogP9.47
TPSA100.96 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500797.60
LogP ≤ 59.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;ethane;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine 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
2-(4-Propoxyphenyl)imidazo[1,2-a]pyridine
CID 2876085
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
(4-[3-[4-(2-Methoxyphenyl)piperazin-1-yl]butoxy]phenyl)imidazo[1,2-a]pyridine
CID 10479214
2-[4-[3-(Azepan-1-yl)propoxy]-2-methylphenyl]-7-methylimidazo[1,2-a]pyridine
CID 22390950
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

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;ethane;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;ethane;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 142362602) is 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;ethane;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;ethane;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;ethane;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine is CC.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)cnc2cn1.Fc1cc(-c2cn3c(C(F)(F)F)cnc3cn2)cnc1OCC(F)(F)F.
What is the InChIKey of 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;ethane;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is UBAGCCKYRKPUSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5N3O2.C14H7F7N4O.C2H6/c1-16(18,19)14-6-24-15-7-23-13(8-25(14)15)12-4-3-11(27-17(20,21)22)5-10(12)9-26-2;15-8-1-7(2-24-12(8)26-6-13(16,17)18)9-5-25-10(14(19,20)21)3-23-11(25)4-22-9;1-2/h3-8H,9H2,1-2H3;1-5H,6H2;1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;ethane;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;ethane;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 797.60 g/mol, XLogP of 9.47, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrazine;ethane;6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 142362602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).