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;2-(difluoromethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-3-methylpyridine;3-(2,3-dihydro-1-benzofuran-7-yl)-2-[(6-ethyl-3-pyridinyl)oxy]pyridine;3-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline

C100H88F8N10O12 — CID 159653460

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;2-(difluoromethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-3-methylpyridine;3-(2,3-dihydro-1-benzofuran-7-yl)-2-[(6-ethyl-3-pyridinyl)oxy]pyridine;3-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline
SMILESCCc1ccc(Oc2ncccc2-c2cccc3c2OCC3)cn1.COCC(F)(F)c1ccc(Oc2ncccc2-c2ccc(F)cc2OC)cn1.COCC(F)(F)c1ccc(Oc2ncccc2-c2ccccc2OC)cn1.COc1cc(F)ccc1-c1cccnc1Oc1cnc(C(F)F)c(C)c1.COc1ccccc1-c1cccnc1Oc1cnc2c(c1)CCCC2
InChIInChI=1S/C21H20N2O2.C20H17F3N2O3.C20H18F2N2O3.C20H18N2O2.C19H15F3N2O2/c1-24-20-11-5-3-8-17(20)18-9-6-12-22-21(18)25-16-13-15-7-2-4-10-19(15)23-14-16;1-26-12-20(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;1-2-15-8-9-16(13-22-15)24-20-18(7-4-11-21-20)17-6-3-5-14-10-12-23-19(14)17;1-11-8-13(10-24-17(11)18(21)22)26-19-15(4-3-7-23-19)14-6-5-12(20)9-16(14)25-2/h3,5-6,8-9,11-14H,2,4,7,10H2,1H3;3-11H,12H2,1-2H3;3-12H,13H2,1-2H3;3-9,11,13H,2,10,12H2,1H3;3-10,18H,1-2H3
InChIKeyMRWHIENKBYHECB-UHFFFAOYSA-N
MW1773.85 g/mol
LogP24.09
Rot. Bonds27

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;2-(difluoromethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-3-methylpyridine;3-(2,3-dihydro-1-benzofuran-7-yl)-2-[(6-ethyl-3-pyridinyl)oxy]pyridine;3-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline

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;2-(difluoromethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-3-methylpyridine;3-(2,3-dihydro-1-benzofuran-7-yl)-2-[(6-ethyl-3-pyridinyl)oxy]pyridine;3-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline (PubChem CID 159653460) has the molecular formula C100H88F8N10O12 and a molecular weight of 1773.85 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;2-(difluoromethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-3-methylpyridine;3-(2,3-dihydro-1-benzofuran-7-yl)-2-[(6-ethyl-3-pyridinyl)oxy]pyridine;3-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline.

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;2-(difluoromethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-3-methylpyridine;3-(2,3-dihydro-1-benzofuran-7-yl)-2-[(6-ethyl-3-pyridinyl)oxy]pyridine;3-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline
PubChem CID159653460
Molecular FormulaC100H88F8N10O12
Molecular Weight1773.85 g/mol
Exact Mass1772.65
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;2-(difluoromethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-3-methylpyridine;3-(2,3-dihydro-1-benzofuran-7-yl)-2-[(6-ethyl-3-pyridinyl)oxy]pyridine;3-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline
SMILESCCc1ccc(Oc2ncccc2-c2cccc3c2OCC3)cn1.COCC(F)(F)c1ccc(Oc2ncccc2-c2ccc(F)cc2OC)cn1.COCC(F)(F)c1ccc(Oc2ncccc2-c2ccccc2OC)cn1.COc1cc(F)ccc1-c1cccnc1Oc1cnc(C(F)F)c(C)c1.COc1ccccc1-c1cccnc1Oc1cnc2c(c1)CCCC2
InChIInChI=1S/C21H20N2O2.C20H17F3N2O3.C20H18F2N2O3.C20H18N2O2.C19H15F3N2O2/c1-24-20-11-5-3-8-17(20)18-9-6-12-22-21(18)25-16-13-15-7-2-4-10-19(15)23-14-16;1-26-12-20(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;1-2-15-8-9-16(13-22-15)24-20-18(7-4-11-21-20)17-6-3-5-14-10-12-23-19(14)17;1-11-8-13(10-24-17(11)18(21)22)26-19-15(4-3-7-23-19)14-6-5-12(20)9-16(14)25-2/h3,5-6,8-9,11-14H,2,4,7,10H2,1H3;3-11H,12H2,1-2H3;3-12H,13H2,1-2H3;3-9,11,13H,2,10,12H2,1H3;3-10,18H,1-2H3
InChIKeyMRWHIENKBYHECB-UHFFFAOYSA-N
XLogP24.09
TPSA239.66 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds27
Heavy Atoms130
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001773.85
LogP ≤ 524.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

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;2-(difluoromethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-3-methylpyridine;3-(2,3-dihydro-1-benzofuran-7-yl)-2-[(6-ethyl-3-pyridinyl)oxy]pyridine;3-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline 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)-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
(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'-(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
(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
(4S)-1'-fluoro-7'-(2-fluoro-3-pyridinyl)-3'-(6-fluoro-3-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 118725973
(4S)-3'-(2-fluoro-4-pyridinyl)-7'-(6-fluoro-2-pyridinyl)spiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 145991278
(4S)-7'-(2-fluoro-3-pyridinyl)-3'-pyridin-3-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 45254505
(4S)-7'-(2-fluoro-3-pyridinyl)-3'-pyridin-4-ylspiro[5H-1,3-oxazole-4,5'-chromeno[2,3-c]pyridine]-2-amine
CID 45254506
(4S)-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 89512686

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;2-(difluoromethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-3-methylpyridine;3-(2,3-dihydro-1-benzofuran-7-yl)-2-[(6-ethyl-3-pyridinyl)oxy]pyridine;3-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline?
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;2-(difluoromethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-3-methylpyridine;3-(2,3-dihydro-1-benzofuran-7-yl)-2-[(6-ethyl-3-pyridinyl)oxy]pyridine;3-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline (CID 159653460) 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;2-(difluoromethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-3-methylpyridine;3-(2,3-dihydro-1-benzofuran-7-yl)-2-[(6-ethyl-3-pyridinyl)oxy]pyridine;3-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline.
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;2-(difluoromethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-3-methylpyridine;3-(2,3-dihydro-1-benzofuran-7-yl)-2-[(6-ethyl-3-pyridinyl)oxy]pyridine;3-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline?
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;2-(difluoromethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-3-methylpyridine;3-(2,3-dihydro-1-benzofuran-7-yl)-2-[(6-ethyl-3-pyridinyl)oxy]pyridine;3-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline is CCc1ccc(Oc2ncccc2-c2cccc3c2OCC3)cn1.COCC(F)(F)c1ccc(Oc2ncccc2-c2ccc(F)cc2OC)cn1.COCC(F)(F)c1ccc(Oc2ncccc2-c2ccccc2OC)cn1.COc1cc(F)ccc1-c1cccnc1Oc1cnc(C(F)F)c(C)c1.COc1ccccc1-c1cccnc1Oc1cnc2c(c1)CCCC2.
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;2-(difluoromethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-3-methylpyridine;3-(2,3-dihydro-1-benzofuran-7-yl)-2-[(6-ethyl-3-pyridinyl)oxy]pyridine;3-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline?
The InChIKey is MRWHIENKBYHECB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O2.C20H17F3N2O3.C20H18F2N2O3.C20H18N2O2.C19H15F3N2O2/c1-24-20-11-5-3-8-17(20)18-9-6-12-22-21(18)25-16-13-15-7-2-4-10-19(15)23-14-16;1-26-12-20(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;1-2-15-8-9-16(13-22-15)24-20-18(7-4-11-21-20)17-6-3-5-14-10-12-23-19(14)17;1-11-8-13(10-24-17(11)18(21)22)26-19-15(4-3-7-23-19)14-6-5-12(20)9-16(14)25-2/h3,5-6,8-9,11-14H,2,4,7,10H2,1H3;3-11H,12H2,1-2H3;3-12H,13H2,1-2H3;3-9,11,13H,2,10,12H2,1H3;3-10,18H,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;2-(difluoromethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-3-methylpyridine;3-(2,3-dihydro-1-benzofuran-7-yl)-2-[(6-ethyl-3-pyridinyl)oxy]pyridine;3-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline?
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;2-(difluoromethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-3-methylpyridine;3-(2,3-dihydro-1-benzofuran-7-yl)-2-[(6-ethyl-3-pyridinyl)oxy]pyridine;3-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline has a molecular weight of 1773.85 g/mol, XLogP of 24.09, 27 rotatable bonds, 0 hydrogen bond donors, and 22 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;2-(difluoromethyl)-5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-3-methylpyridine;3-(2,3-dihydro-1-benzofuran-7-yl)-2-[(6-ethyl-3-pyridinyl)oxy]pyridine;3-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]-5,6,7,8-tetrahydroquinoline is sourced from PubChem (CID 159653460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).