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

C36H25F11N8O2 — CID 142362286

IUPAC3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane
SMILESCC.CC(F)(F)c1nc(C#N)c2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.N#Cc1nc(C2CC2(F)F)n2cc(-c3ccc(OC(F)(F)F)cc3)ccc12
InChIInChI=1S/C18H10F5N3O.C16H9F6N5O.C2H6/c19-17(20)7-13(17)16-25-14(8-24)15-6-3-11(9-26(15)16)10-1-4-12(5-2-10)27-18(21,22)23;1-15(18,19)14-26-10(3-23)12-5-24-11(6-27(12)14)8-2-9(17)13(25-4-8)28-7-16(20,21)22;1-2/h1-6,9,13H,7H2;2,4-6H,7H2,1H3;1-2H3
InChIKeySLYCYSHWGSIUAN-UHFFFAOYSA-N
MW810.63 g/mol
LogP9.78
Rot. Bonds7

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

3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane (PubChem CID 142362286) has the molecular formula C36H25F11N8O2 and a molecular weight of 810.63 g/mol. Its IUPAC name is 3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane.

Molecular Properties

Compound Name3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane
PubChem CID142362286
Molecular FormulaC36H25F11N8O2
Molecular Weight810.63 g/mol
Exact Mass810.19
IUPAC Name3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane
SMILESCC.CC(F)(F)c1nc(C#N)c2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.N#Cc1nc(C2CC2(F)F)n2cc(-c3ccc(OC(F)(F)F)cc3)ccc12
InChIInChI=1S/C18H10F5N3O.C16H9F6N5O.C2H6/c19-17(20)7-13(17)16-25-14(8-24)15-6-3-11(9-26(15)16)10-1-4-12(5-2-10)27-18(21,22)23;1-15(18,19)14-26-10(3-23)12-5-24-11(6-27(12)14)8-2-9(17)13(25-4-8)28-7-16(20,21)22;1-2/h1-6,9,13H,7H2;2,4-6H,7H2,1H3;1-2H3
InChIKeySLYCYSHWGSIUAN-UHFFFAOYSA-N
XLogP9.78
TPSA126.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.63
LogP ≤ 59.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane with MolForge

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Related Compounds

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-isopropoxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 146659129
6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-(2-morpholinoethyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 17747162
1-(2-(dimethylamino)ethyl)-6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 17747164
6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1-(3-morpholinopropyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 17747165
1-(3-(dimethylamino)propyl)-6-(4-ethoxy-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 17747166
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
1-methyl-6-(4-(2-(1-(oxazol-2-ylmethyl)piperidin-4-yl)ethoxy)-3-(trifluoromethyl)phenyl)-1H-imidazo[4,5-c]pyridine-4-carbonitrile
CID 46842579

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane?
The IUPAC name of 3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane (CID 142362286) is 3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane.
What is the SMILES notation for 3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane?
The canonical SMILES for 3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane is CC.CC(F)(F)c1nc(C#N)c2cnc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.N#Cc1nc(C2CC2(F)F)n2cc(-c3ccc(OC(F)(F)F)cc3)ccc12.
What is the InChIKey of 3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane?
The InChIKey is SLYCYSHWGSIUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F5N3O.C16H9F6N5O.C2H6/c19-17(20)7-13(17)16-25-14(8-24)15-6-3-11(9-26(15)16)10-1-4-12(5-2-10)27-18(21,22)23;1-15(18,19)14-26-10(3-23)12-5-24-11(6-27(12)14)8-2-9(17)13(25-4-8)28-7-16(20,21)22;1-2/h1-6,9,13H,7H2;2,4-6H,7H2,1H3;1-2H3.
What are the key properties of 3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane?
3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane has a molecular weight of 810.63 g/mol, XLogP of 9.78, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluorocyclopropyl)-6-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyrazine-1-carbonitrile;ethane is sourced from PubChem (CID 142362286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).