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

C38H33F11N8O2 — CID 142362267

IUPAC3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane
SMILESCC.CC.CC(F)(F)c1nc(C#N)c2ccc(-c3ccc(OCC(F)(F)F)nc3)cn12.CC(F)(F)c1nc(C#N)c2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12
InChIInChI=1S/C17H10F6N4O.C17H11F5N4O.2C2H6/c1-16(19,20)15-26-12(5-24)13-3-2-9(7-27(13)15)10-4-11(18)14(25-6-10)28-8-17(21,22)23;1-16(18,19)15-25-12(6-23)13-4-2-11(8-26(13)15)10-3-5-14(24-7-10)27-9-17(20,21)22;2*1-2/h2-4,6-7H,8H2,1H3;2-5,7-8H,9H2,1H3;2*1-2H3
InChIKeyFNXHIIOYMDFGJO-UHFFFAOYSA-N
MW842.71 g/mol
LogP10.83
Rot. Bonds8

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

3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane (PubChem CID 142362267) has the molecular formula C38H33F11N8O2 and a molecular weight of 842.71 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane
PubChem CID142362267
Molecular FormulaC38H33F11N8O2
Molecular Weight842.71 g/mol
Exact Mass842.26
IUPAC Name3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane
SMILESCC.CC.CC(F)(F)c1nc(C#N)c2ccc(-c3ccc(OCC(F)(F)F)nc3)cn12.CC(F)(F)c1nc(C#N)c2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12
InChIInChI=1S/C17H10F6N4O.C17H11F5N4O.2C2H6/c1-16(19,20)15-26-12(5-24)13-3-2-9(7-27(13)15)10-4-11(18)14(25-6-10)28-8-17(21,22)23;1-16(18,19)15-25-12(6-23)13-4-2-11(8-26(13)15)10-3-5-14(24-7-10)27-9-17(20,21)22;2*1-2/h2-4,6-7H,8H2,1H3;2-5,7-8H,9H2,1H3;2*1-2H3
InChIKeyFNXHIIOYMDFGJO-UHFFFAOYSA-N
XLogP10.83
TPSA126.42 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500842.71
LogP ≤ 510.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

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Related Compounds

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
6-{6-[2-(1-ethylpiperidin-4-yl)ethoxy]-5-(trifluoromethyl)pyridin-3-yl}-9-methyl-9H-purine-2-carbonitrile
CID 71761629
6-[6-[2-[1-(1,3-Difluoropropan-2-yl)piperidin-4-yl]ethoxy]-5-(trifluoromethyl)pyridin-3-yl]-9-methylpurine-2-carbonitrile
CID 117914075
1-methyl-2-(((1R,5S)-6-((5-(trifluoromethyl)pyridin-2-yloxy)methyl)-3-aza-bicyclo[3.1.0]hexan-3-yl)methyl)-1H-benzo[d]imidazole
CID 25110723
2-[[5-(2-Ethyl-3-pentan-2-ylimidazo[4,5-b]pyridin-7-yl)-6-(trifluoromethyl)-2-pyridinyl]oxy]ethanol
CID 44329941
2-Ethyl-3-(1-methoxypentan-3-yl)-7-[6-methoxy-2-(trifluoromethyl)-3-pyridinyl]imidazo[4,5-b]pyridine
CID 44330089
7-(4-Phenylmethoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
CID 46227786
1-(1-Methylpiperidin-4-yl)oxy-3-[4-(trifluoromethyl)phenyl]pyrido[1,2-a]benzimidazole-4-carbonitrile
CID 137643977
9-methyl-6-{6-[2-(1-methylpiperidin-4-yl)ethoxy]-5-(trifluoromethyl)pyridin-3-yl}-9H-purine-2-carbonitrile
CID 117899542
4-[6-[2-(1-Ethylpiperidin-4-yl)ethoxy]-5-(trifluoromethyl)pyridin-3-yl]-7-(oxolan-3-ylmethyl)pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 117914049
9-Methyl-6-[6-[2-[1-(2-methylpropyl)piperidin-4-yl]ethoxy]-5-(trifluoromethyl)pyridin-3-yl]purine-2-carbonitrile
CID 117914127

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane?
The IUPAC name of 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane (CID 142362267) is 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane?
The canonical SMILES for 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane is CC.CC.CC(F)(F)c1nc(C#N)c2ccc(-c3ccc(OCC(F)(F)F)nc3)cn12.CC(F)(F)c1nc(C#N)c2ccc(-c3cnc(OCC(F)(F)F)c(F)c3)cn12.
What is the InChIKey of 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane?
The InChIKey is FNXHIIOYMDFGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10F6N4O.C17H11F5N4O.2C2H6/c1-16(19,20)15-26-12(5-24)13-3-2-9(7-27(13)15)10-4-11(18)14(25-6-10)28-8-17(21,22)23;1-16(18,19)15-25-12(6-23)13-4-2-11(8-26(13)15)10-3-5-14(24-7-10)27-9-17(20,21)22;2*1-2/h2-4,6-7H,8H2,1H3;2-5,7-8H,9H2,1H3;2*1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane?
3-(1,1-difluoroethyl)-6-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane has a molecular weight of 842.71 g/mol, XLogP of 10.83, 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-[5-fluoro-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;3-(1,1-difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]imidazo[1,5-a]pyridine-1-carbonitrile;ethane is sourced from PubChem (CID 142362267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).