6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine

C52H34F11N7O3 — CID 161024000

IUPAC6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine
SMILESCC(F)(F)Oc1ccc(-c2ccc3c(C#N)nc(C(F)(F)F)n3c2)cc1.COc1ccc(-c2ccc3cnc(C(F)(F)F)n3c2)cc1.FC(F)(F)c1ncc2ccc(-c3ccc(Oc4ccccc4)cc3)cn12
InChIInChI=1S/C20H13F3N2O.C17H10F5N3O.C15H11F3N2O/c21-20(22,23)19-24-12-16-9-6-15(13-25(16)19)14-7-10-18(11-8-14)26-17-4-2-1-3-5-17;1-16(18,19)26-12-5-2-10(3-6-12)11-4-7-14-13(8-23)24-15(17(20,21)22)25(14)9-11;1-21-13-6-3-10(4-7-13)11-2-5-12-8-19-14(15(16,17)18)20(12)9-11/h1-13H;2-7,9H,1H3;2-9H,1H3
InChIKeyTYSZQUDFLHDIDF-UHFFFAOYSA-N
MW1013.87 g/mol
LogP14.72
Rot. Bonds8

About 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine

6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine (PubChem CID 161024000) has the molecular formula C52H34F11N7O3 and a molecular weight of 1013.87 g/mol. Its IUPAC name is 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine
PubChem CID161024000
Molecular FormulaC52H34F11N7O3
Molecular Weight1013.87 g/mol
Exact Mass1013.25
IUPAC Name6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine
SMILESCC(F)(F)Oc1ccc(-c2ccc3c(C#N)nc(C(F)(F)F)n3c2)cc1.COc1ccc(-c2ccc3cnc(C(F)(F)F)n3c2)cc1.FC(F)(F)c1ncc2ccc(-c3ccc(Oc4ccccc4)cc3)cn12
InChIInChI=1S/C20H13F3N2O.C17H10F5N3O.C15H11F3N2O/c21-20(22,23)19-24-12-16-9-6-15(13-25(16)19)14-7-10-18(11-8-14)26-17-4-2-1-3-5-17;1-16(18,19)26-12-5-2-10(3-6-12)11-4-7-14-13(8-23)24-15(17(20,21)22)25(14)9-11;1-21-13-6-3-10(4-7-13)11-2-5-12-8-19-14(15(16,17)18)20(12)9-11/h1-13H;2-7,9H,1H3;2-9H,1H3
InChIKeyTYSZQUDFLHDIDF-UHFFFAOYSA-N
XLogP14.72
TPSA103.38 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001013.87
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine with MolForge

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Related Compounds

1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
3,6-Bis(4-isopropoxyphenyl)imidazo[1,2-a]pyridine-7-carbonitrile
CID 146659129
6-[4-(Difluoromethoxy)phenyl]-3-(4-propan-2-yloxyphenyl)imidazo[1,2-a]pyridine
CID 134179613
2-[[(3R,4R)-4-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 44178197
7-(4-Phenylmethoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
CID 46227786
7-(4-Phenoxyphenyl)-3-(2,2,2-trifluoroethyl)imidazo[1,2-a]pyridine-8-carbonitrile
CID 46227797
2-[[(3S,4S)-4-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 51354020
2-((4-(2-Fluoro-4-(trifluoromethoxy)phenyl)piperidin-1-yl)methyl)-1-methyl-1H-imidazo[4,5-b]pyridine
CID 51357400
2-[4-[4-[4-[2-(4-Methoxyphenyl)phenyl]piperidin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine
CID 162662367
2-[4-[4-[4-[2-(4-Methoxyphenyl)phenyl]piperazin-1-yl]butoxy]phenyl]imidazo[1,2-a]pyridine
CID 162666163
3,6-Bis(4-propan-2-yloxyphenyl)imidazo[1,5-a]pyridine
CID 134179640
US9115126, Reference imidazopyridine derivative EP 09150709.5-Example 24c
CID 46842746

Frequently Asked Questions

What is the IUPAC name of 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine (CID 161024000) is 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine is CC(F)(F)Oc1ccc(-c2ccc3c(C#N)nc(C(F)(F)F)n3c2)cc1.COc1ccc(-c2ccc3cnc(C(F)(F)F)n3c2)cc1.FC(F)(F)c1ncc2ccc(-c3ccc(Oc4ccccc4)cc3)cn12.
What is the InChIKey of 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine?
The InChIKey is TYSZQUDFLHDIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13F3N2O.C17H10F5N3O.C15H11F3N2O/c21-20(22,23)19-24-12-16-9-6-15(13-25(16)19)14-7-10-18(11-8-14)26-17-4-2-1-3-5-17;1-16(18,19)26-12-5-2-10(3-6-12)11-4-7-14-13(8-23)24-15(17(20,21)22)25(14)9-11;1-21-13-6-3-10(4-7-13)11-2-5-12-8-19-14(15(16,17)18)20(12)9-11/h1-13H;2-7,9H,1H3;2-9H,1H3.
What are the key properties of 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine?
6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine has a molecular weight of 1013.87 g/mol, XLogP of 14.72, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(1,1-difluoroethoxy)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine-1-carbonitrile;6-(4-methoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine;6-(4-phenoxyphenyl)-3-(trifluoromethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 161024000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).