3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;ethane;6-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine

C37H36F8N4O3 — CID 142362282

IUPAC3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;ethane;6-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine
SMILESCC.COC(C)(C)c1ccc(-c2ccc3cnc(C(F)(F)F)n3c2)cc1.COc1cc(OC(F)(F)F)ccc1-c1ccc2cnc(C(C)(F)F)n2c1
InChIInChI=1S/C18H17F3N2O.C17H13F5N2O2.C2H6/c1-17(2,24-3)14-7-4-12(5-8-14)13-6-9-15-10-22-16(18(19,20)21)23(15)11-13;1-16(18,19)15-23-8-11-4-3-10(9-24(11)15)13-6-5-12(7-14(13)25-2)26-17(20,21)22;1-2/h4-11H,1-3H3;3-9H,1-2H3;1-2H3
InChIKeyKTKOJRBFWHOXKK-UHFFFAOYSA-N
MW736.70 g/mol
LogP10.95
Rot. Bonds7

About 3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;ethane;6-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine

3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;ethane;6-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine (PubChem CID 142362282) has the molecular formula C37H36F8N4O3 and a molecular weight of 736.70 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;ethane;6-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;ethane;6-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine
PubChem CID142362282
Molecular FormulaC37H36F8N4O3
Molecular Weight736.70 g/mol
Exact Mass736.27
IUPAC Name3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;ethane;6-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine
SMILESCC.COC(C)(C)c1ccc(-c2ccc3cnc(C(F)(F)F)n3c2)cc1.COc1cc(OC(F)(F)F)ccc1-c1ccc2cnc(C(C)(F)F)n2c1
InChIInChI=1S/C18H17F3N2O.C17H13F5N2O2.C2H6/c1-17(2,24-3)14-7-4-12(5-8-14)13-6-9-15-10-22-16(18(19,20)21)23(15)11-13;1-16(18,19)15-23-8-11-4-3-10(9-24(11)15)13-6-5-12(7-14(13)25-2)26-17(20,21)22;1-2/h4-11H,1-3H3;3-9H,1-2H3;1-2H3
InChIKeyKTKOJRBFWHOXKK-UHFFFAOYSA-N
XLogP10.95
TPSA62.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.70
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;ethane;6-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine with MolForge

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Related Compounds

1-(2,4-Dimethoxy-5-(trifluoromethyl)phenyl)-3-(3-(8-(pyridin-4-ylmethylamino)imidazo[1,2-a]pyrazin-6-yl)phenyl)urea
CID 11606531
2-((4-(2-methoxy-4-(trifluoromethyl)phenyl)piperidin-1-yl)methyl)-1-methyl-1H-imidazo[4,5-b]pyridine
CID 25008958
3-Methoxy-4-[2-propan-2-yl-6-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]phenol
CID 142401390
6-(3,5-Dimethoxyphenyl)-2-(4-methoxyphenyl)imidazo[1,2-a]pyridine
CID 155514980
2-[[(3R,4R)-4-[2-fluoro-4-(trifluoromethoxy)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 44178197
2-[[(3S,4S)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 51354014
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-[[(3R,4R)-4-[2-methoxy-4-(trifluoromethyl)phenyl]-3-methylpiperidin-1-yl]methyl]-1-methylimidazo[4,5-b]pyridine
CID 51357936
7-(4-Methoxyphenyl)-3-(4-methylphenyl)imidazo[1,2-a]pyridine
CID 118733902
5-(2,4-Difluorophenyl)-3-(pyrrolidin-1-ylmethyl)-7-(2,3,4-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile
CID 132576485
5-(2,4-Difluorophenyl)-3-(pyrrolidin-1-ylmethyl)-7-(3,4,5-trimethoxyphenyl)imidazo[1,2-a]pyridine-8-carbonitrile
CID 132576486

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;ethane;6-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine?
The IUPAC name of 3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;ethane;6-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine (CID 142362282) is 3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;ethane;6-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;ethane;6-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine?
The canonical SMILES for 3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;ethane;6-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine is CC.COC(C)(C)c1ccc(-c2ccc3cnc(C(F)(F)F)n3c2)cc1.COc1cc(OC(F)(F)F)ccc1-c1ccc2cnc(C(C)(F)F)n2c1.
What is the InChIKey of 3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;ethane;6-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine?
The InChIKey is KTKOJRBFWHOXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O.C17H13F5N2O2.C2H6/c1-17(2,24-3)14-7-4-12(5-8-14)13-6-9-15-10-22-16(18(19,20)21)23(15)11-13;1-16(18,19)15-23-8-11-4-3-10(9-24(11)15)13-6-5-12(7-14(13)25-2)26-17(20,21)22;1-2/h4-11H,1-3H3;3-9H,1-2H3;1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;ethane;6-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine?
3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;ethane;6-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine has a molecular weight of 736.70 g/mol, XLogP of 10.95, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-6-[2-methoxy-4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyridine;ethane;6-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)imidazo[1,5-a]pyridine is sourced from PubChem (CID 142362282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).