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

C38H34F10N8O2 — CID 142362293

IUPAC3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane
SMILESCC.CC.CC(F)(F)c1nc(C#N)c2cnc(-c3ccc(C(F)(F)F)cc3)cn12.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nc(C#N)c2cn1
InChIInChI=1S/C18H13F5N4O2.C16H9F5N4.2C2H6/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;1-15(17,18)14-24-11(6-22)13-7-23-12(8-25(13)14)9-2-4-10(5-3-9)16(19,20)21;2*1-2/h3-5,7-8H,9H2,1-2H3;2-5,7-8H,1H3;2*1-2H3
InChIKeyRSAUFULZUVFFHM-UHFFFAOYSA-N
MW824.72 g/mol
LogP10.88
Rot. Bonds7

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

3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane (PubChem CID 142362293) has the molecular formula C38H34F10N8O2 and a molecular weight of 824.72 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane
PubChem CID142362293
Molecular FormulaC38H34F10N8O2
Molecular Weight824.72 g/mol
Exact Mass824.26
IUPAC Name3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane
SMILESCC.CC.CC(F)(F)c1nc(C#N)c2cnc(-c3ccc(C(F)(F)F)cc3)cn12.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nc(C#N)c2cn1
InChIInChI=1S/C18H13F5N4O2.C16H9F5N4.2C2H6/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;1-15(17,18)14-24-11(6-22)13-7-23-12(8-25(13)14)9-2-4-10(5-3-9)16(19,20)21;2*1-2/h3-5,7-8H,9H2,1-2H3;2-5,7-8H,1H3;2*1-2H3
InChIKeyRSAUFULZUVFFHM-UHFFFAOYSA-N
XLogP10.88
TPSA126.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500824.72
LogP ≤ 510.88
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;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane 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
trans-1-(3-(Benzyloxy)phenyl)-3-(4-(pyrrolidin-1-ylmethyl)cyclohexyl)imidazo[1,5-a]pyrazin-8-amine
CID 11306193
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
2-(2-Fluoro-5-methoxy-phenyl)-5-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-c]pyridine
CID 44427186
1-methyl-6-(4-(2-(6-methylpyridin-2-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 49862102
1-(5-Indol-1-yl-3-pyridinyl)-8,9-dimethoxy-3-methyl-5,6-dihydroimidazo[5,1-a]isoquinoline
CID 50902804
2-(2,3-Difluorophenyl)-5-[[5-[4-propoxy-2-(trifluoromethyl)phenyl]pyrazin-2-yl]methyl]imidazo[4,5-d]pyridazine
CID 57857990

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;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane?
The IUPAC name of 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane (CID 142362293) is 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane?
The canonical SMILES for 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane is CC.CC.CC(F)(F)c1nc(C#N)c2cnc(-c3ccc(C(F)(F)F)cc3)cn12.COCc1cc(OC(F)(F)F)ccc1-c1cn2c(C(C)(F)F)nc(C#N)c2cn1.
What is the InChIKey of 3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane?
The InChIKey is RSAUFULZUVFFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F5N4O2.C16H9F5N4.2C2H6/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;1-15(17,18)14-24-11(6-22)13-7-23-12(8-25(13)14)9-2-4-10(5-3-9)16(19,20)21;2*1-2/h3-5,7-8H,9H2,1-2H3;2-5,7-8H,1H3;2*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;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane?
3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane has a molecular weight of 824.72 g/mol, XLogP of 10.88, 7 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;3-(1,1-difluoroethyl)-6-[4-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane is sourced from PubChem (CID 142362293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).