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

C33H27F11N6O3 — CID 142362288

IUPAC3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
SMILESCC.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)ncc2cn1.FC(F)(F)Oc1ccc(-c2cn3c(C(F)(F)F)ncc3cn2)cc1
InChIInChI=1S/C17H14F5N3O2.C14H7F6N3O.C2H6/c1-16(18,19)15-24-7-11-6-23-14(8-25(11)15)13-4-3-12(27-17(20,21)22)5-10(13)9-26-2;15-13(16,17)12-22-6-9-5-21-11(7-23(9)12)8-1-3-10(4-2-8)24-14(18,19)20;1-2/h3-8H,9H2,1-2H3;1-7H;1-2H3
InChIKeyOGSNXNAVSODQFI-UHFFFAOYSA-N
MW764.60 g/mol
LogP9.89
Rot. Bonds7

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

3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine (PubChem CID 142362288) has the molecular formula C33H27F11N6O3 and a molecular weight of 764.60 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
PubChem CID142362288
Molecular FormulaC33H27F11N6O3
Molecular Weight764.60 g/mol
Exact Mass764.20
IUPAC Name3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine
SMILESCC.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)ncc2cn1.FC(F)(F)Oc1ccc(-c2cn3c(C(F)(F)F)ncc3cn2)cc1
InChIInChI=1S/C17H14F5N3O2.C14H7F6N3O.C2H6/c1-16(18,19)15-24-7-11-6-23-14(8-25(11)15)13-4-3-12(27-17(20,21)22)5-10(13)9-26-2;15-13(16,17)12-22-6-9-5-21-11(7-23(9)12)8-1-3-10(4-2-8)24-14(18,19)20;1-2/h3-8H,9H2,1-2H3;1-7H;1-2H3
InChIKeyOGSNXNAVSODQFI-UHFFFAOYSA-N
XLogP9.89
TPSA88.07 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.60
LogP ≤ 59.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine
CID 46178283
6-Methyl-5-(2-methyl-4-pyrrolo[1,2-a]pyrazin-1-yloxyphenyl)imidazo[1,2-a]pyrazine
CID 92044504
1-[3-(6-fluoro-1H-benzimidazol-2-yl)-5-(3-fluoro-5-methoxyphenyl)-4-pyridinyl]piperidin-4-amine
CID 118057675
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
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyrimidine
CID 134179385
6-(2-Methyl-4-propan-2-yloxyphenyl)-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179844
5-[(4-Methoxyphenyl)methyl]-2-phenyl-imidazo[4,5-c]pyridine
CID 10380992
2-Phenyl-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine
CID 44418336
2-Ethyl-7-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]-3-pentan-2-ylimidazo[4,5-b]pyridine
CID 10408193
3-Butan-2-yl-2-ethyl-7-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-b]pyridine
CID 44330087
2-Ethyl-3-(1-methylbutyl)-7-[2-(trifluoromethyl)-4-methoxyphenyl]-3H-imidazo[4,5-b]pyridine
CID 44458682

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine?
The IUPAC name of 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine (CID 142362288) is 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine?
The canonical SMILES for 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine is CC.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)ncc2cn1.FC(F)(F)Oc1ccc(-c2cn3c(C(F)(F)F)ncc3cn2)cc1.
What is the InChIKey of 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine?
The InChIKey is OGSNXNAVSODQFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F5N3O2.C14H7F6N3O.C2H6/c1-16(18,19)15-24-7-11-6-23-14(8-25(11)15)13-4-3-12(27-17(20,21)22)5-10(13)9-26-2;15-13(16,17)12-22-6-9-5-21-11(7-23(9)12)8-1-3-10(4-2-8)24-14(18,19)20;1-2/h3-8H,9H2,1-2H3;1-7H;1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine?
3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine has a molecular weight of 764.60 g/mol, XLogP of 9.89, 7 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-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine;ethane;6-[4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyrazine is sourced from PubChem (CID 142362288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).