2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;ethane

C42H41F5N4O6 — CID 145276172

IUPAC2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;ethane
SMILESCC.COCC(F)(F)c1ccc(Oc2ncccc2-c2ccc(F)cc2OC)cn1.COCC(F)(F)c1ccc(Oc2ncccc2-c2ccccc2OC)cn1
InChIInChI=1S/C20H17F3N2O3.C20H18F2N2O3.C2H6/c1-26-12-20(22,23)18-8-6-14(11-25-18)28-19-16(4-3-9-24-19)15-7-5-13(21)10-17(15)27-2;1-25-13-20(21,22)18-10-9-14(12-24-18)27-19-16(7-5-11-23-19)15-6-3-4-8-17(15)26-2;1-2/h3-11H,12H2,1-2H3;3-12H,13H2,1-2H3;1-2H3
InChIKeyWUMUYCVZHWZNHY-UHFFFAOYSA-N
MW792.80 g/mol
LogP10.53
Rot. Bonds14

About 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;ethane

2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;ethane (PubChem CID 145276172) has the molecular formula C42H41F5N4O6 and a molecular weight of 792.80 g/mol. Its IUPAC name is 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;ethane.

Molecular Properties

Compound Name2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;ethane
PubChem CID145276172
Molecular FormulaC42H41F5N4O6
Molecular Weight792.80 g/mol
Exact Mass792.29
IUPAC Name2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;ethane
SMILESCC.COCC(F)(F)c1ccc(Oc2ncccc2-c2ccc(F)cc2OC)cn1.COCC(F)(F)c1ccc(Oc2ncccc2-c2ccccc2OC)cn1
InChIInChI=1S/C20H17F3N2O3.C20H18F2N2O3.C2H6/c1-26-12-20(22,23)18-8-6-14(11-25-18)28-19-16(4-3-9-24-19)15-7-5-13(21)10-17(15)27-2;1-25-13-20(21,22)18-10-9-14(12-24-18)27-19-16(7-5-11-23-19)15-6-3-4-8-17(15)26-2;1-2/h3-11H,12H2,1-2H3;3-12H,13H2,1-2H3;1-2H3
InChIKeyWUMUYCVZHWZNHY-UHFFFAOYSA-N
XLogP10.53
TPSA106.94 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.80
LogP ≤ 510.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5s)-3-(5,6-Dihydro-2h-Pyran-3-Yl)-1-Fluoro-7-(2-Fluoropyridin-3-Yl)spiro[chromeno[2,3-C]pyridine-5,4'-[1,3]oxazol]-2'-Amine
CID 53465141
(5s)-7-(2-Fluoropyridin-3-Yl)-3-(2-Fluoropyridin-4-Yl)spiro[chromeno[2,3-C]pyridine-5,4'-[1,3]oxazol]-2'-Amine
CID 58466119
example 385 [US8883782]
CID 67436561
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 53464571
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-(oxan-4-yl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 53464882
Spiro[5H-[1]benzopyrano[2,3-c]pyridine-5,4'(5'H)-oxazol]-2'-amine, 3-(3,6-dihydro-2H-pyran-4-yl)-1-fluoro-7-(2-fluoro-3-pyridinyl)-, (4'S)-
CID 53464944
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-(6-methyl-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 53465142
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-phenylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 58466122
Spiro[5H-[1]benzopyrano[2,3-c]pyridine-5,3'(2'H)-[1,4]oxazepin]-5'-amine, 7-(2-fluoro-3-pyridinyl)-3-(2-fluoro-4-pyridinyl)-6',7'-dihydro-, (3'S)-
CID 60144368
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-(2-fluoro-4-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 67387844
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-pyridin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 118725970
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-(2-methyl-4-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 118725971

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;ethane?
The IUPAC name of 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;ethane (CID 145276172) is 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;ethane.
What is the SMILES notation for 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;ethane?
The canonical SMILES for 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;ethane is CC.COCC(F)(F)c1ccc(Oc2ncccc2-c2ccc(F)cc2OC)cn1.COCC(F)(F)c1ccc(Oc2ncccc2-c2ccccc2OC)cn1.
What is the InChIKey of 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;ethane?
The InChIKey is WUMUYCVZHWZNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N2O3.C20H18F2N2O3.C2H6/c1-26-12-20(22,23)18-8-6-14(11-25-18)28-19-16(4-3-9-24-19)15-7-5-13(21)10-17(15)27-2;1-25-13-20(21,22)18-10-9-14(12-24-18)27-19-16(7-5-11-23-19)15-6-3-4-8-17(15)26-2;1-2/h3-11H,12H2,1-2H3;3-12H,13H2,1-2H3;1-2H3.
What are the key properties of 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;ethane?
2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;ethane has a molecular weight of 792.80 g/mol, XLogP of 10.53, 14 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;ethane is sourced from PubChem (CID 145276172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).