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

C35H25F11N8O2 — CID 142362272

IUPAC3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile
SMILESCC.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nc(C#N)c2cn1.N#Cc1nc(C(F)(F)F)n2cc(-c3ccc(C(F)(F)F)cc3)ncc12
InChIInChI=1S/C18H13F5N4O2.C15H6F6N4.C2H6/c1-17(19,20)16-26-13(6-24)15-7-25-14(8-27(15)16)12-4-3-11(29-18(21,22)23)5-10(12)9-28-2;16-14(17,18)9-3-1-8(2-4-9)11-7-25-12(6-23-11)10(5-22)24-13(25)15(19,20)21;1-2/h3-5,7-8H,9H2,1-2H3;1-4,6-7H;1-2H3
InChIKeyQRUYIHVOGDSBED-UHFFFAOYSA-N
MW798.62 g/mol
LogP9.76
Rot. Bonds6

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

3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile (PubChem CID 142362272) has the molecular formula C35H25F11N8O2 and a molecular weight of 798.62 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile
PubChem CID142362272
Molecular FormulaC35H25F11N8O2
Molecular Weight798.62 g/mol
Exact Mass798.19
IUPAC Name3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile
SMILESCC.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nc(C#N)c2cn1.N#Cc1nc(C(F)(F)F)n2cc(-c3ccc(C(F)(F)F)cc3)ncc12
InChIInChI=1S/C18H13F5N4O2.C15H6F6N4.C2H6/c1-17(19,20)16-26-13(6-24)15-7-25-14(8-27(15)16)12-4-3-11(29-18(21,22)23)5-10(12)9-28-2;16-14(17,18)9-3-1-8(2-4-9)11-7-25-12(6-23-11)10(5-22)24-13(25)15(19,20)21;1-2/h3-5,7-8H,9H2,1-2H3;1-4,6-7H;1-2H3
InChIKeyQRUYIHVOGDSBED-UHFFFAOYSA-N
XLogP9.76
TPSA126.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500798.62
LogP ≤ 59.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Related Compounds

8-(4-((Dimethylamino)methyl)-2-methylphenyl)-5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 155788096
5-[[4-Cyano-2-[3-(trifluoromethoxy)phenyl]phenyl]methoxy-(3-methylimidazol-4-yl)methyl]pyridine-2-carbonitrile
CID 44286801
2-Ethyl-3-(1-methylbutyl)-7-[2-(trifluoromethyl)-4-methoxyphenyl]-3H-imidazo[4,5-b]pyridine
CID 44458682
trans-1-(3-(Benzyloxy)phenyl)-3-(4-(pyrrolidin-1-ylmethyl)cyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 11306193
6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-(2-morpholinoethyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 17747162
6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-(3-morpholinopropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 17747165
2-((4-(2-methoxy-4-(trifluoromethyl)phenyl)piperidin-1-yl)methyl)-1-methyl-1H-imidazo[4,5-b]pyridine
CID 25008958
1-methyl-6-(4-(3-(pyrrolidin-1-yl)propoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 25204268
1-methyl-6-(4-(3-(4-methylpiperazin-1-yl)propoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 25204335
6-(4-(3-(4-ethylpiperazin-1-yl)propoxy)-3-(trifluoromethyl)phenyl)-1-methyl-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 25204336
1-methyl-6-(4-(pyridin-2-ylmethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 25204403
2-(2,3-Difluorophenyl)-5-[[6-[4-propoxy-2-(trifluoromethyl)phenyl]pyridazin-3-yl]methyl]imidazo[4,5-d]pyridazine
CID 44216905

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile?
The IUPAC name of 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile (CID 142362272) is 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile.
What is the SMILES notation for 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile?
The canonical SMILES for 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile is CC.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nc(C#N)c2cn1.N#Cc1nc(C(F)(F)F)n2cc(-c3ccc(C(F)(F)F)cc3)ncc12.
What is the InChIKey of 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile?
The InChIKey is QRUYIHVOGDSBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F5N4O2.C15H6F6N4.C2H6/c1-17(19,20)16-26-13(6-24)15-7-25-14(8-27(15)16)12-4-3-11(29-18(21,22)23)5-10(12)9-28-2;16-14(17,18)9-3-1-8(2-4-9)11-7-25-12(6-23-11)10(5-22)24-13(25)15(19,20)21;1-2/h3-5,7-8H,9H2,1-2H3;1-4,6-7H;1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile?
3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile has a molecular weight of 798.62 g/mol, XLogP of 9.76, 6 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[1,5-a]pyrazine-1-carbonitrile;ethane;3-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile is sourced from PubChem (CID 142362272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).