3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine;4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine;3-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine;7-[4-[4-(difluoromethyl)phenoxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine;methyl 2-[[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyrimidin-2-yl]-methylamino]acetate

C91H71ClF10N16O11 — CID 158272639

IUPAC3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine;4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine;3-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine;7-[4-[4-(difluoromethyl)phenoxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine;methyl 2-[[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyrimidin-2-yl]-methylamino]acetate
SMILESCOC(=O)CN(C)c1ncc(Oc2ncccc2-c2cccnc2OC)cn1.COc1c(Cl)cncc1-c1cccnc1Oc1ccc(C(F)F)cc1.COc1c(F)cncc1-c1cccnc1Oc1ccc(C(F)F)cc1.COc1cc(F)ccc1-c1cncnc1Oc1ccc(C(C)(F)F)nc1.FC(F)c1ccc(Oc2ncncc2-c2cccc3ccnn23)cc1
InChIInChI=1S/C19H19N5O4.C18H13ClF2N2O2.C18H14F3N3O2.C18H13F3N2O2.C18H12F2N4O/c1-24(12-16(25)26-2)19-22-10-13(11-23-19)28-18-15(7-5-9-21-18)14-6-4-8-20-17(14)27-3;1-24-16-14(9-22-10-15(16)19)13-3-2-8-23-18(13)25-12-6-4-11(5-7-12)17(20)21;1-18(20,21)16-6-4-12(8-23-16)26-17-14(9-22-10-24-17)13-5-3-11(19)7-15(13)25-2;1-24-16-14(9-22-10-15(16)19)13-3-2-8-23-18(13)25-12-6-4-11(5-7-12)17(20)21;19-17(20)12-4-6-14(7-5-12)25-18-15(10-21-11-22-18)16-3-1-2-13-8-9-23-24(13)16/h4-11H,12H2,1-3H3;2-10,17H,1H3;3-10H,1-2H3;2-10,17H,1H3;1-11,17H
InChIKeyGJFOBUCMXYMSPP-UHFFFAOYSA-N
MW1790.10 g/mol
LogP22.01
Rot. Bonds26

About 3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine;4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine;3-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine;7-[4-[4-(difluoromethyl)phenoxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine;methyl 2-[[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyrimidin-2-yl]-methylamino]acetate

3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine;4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine;3-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine;7-[4-[4-(difluoromethyl)phenoxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine;methyl 2-[[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyrimidin-2-yl]-methylamino]acetate (PubChem CID 158272639) has the molecular formula C91H71ClF10N16O11 and a molecular weight of 1790.10 g/mol. Its IUPAC name is 3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine;4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine;3-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine;7-[4-[4-(difluoromethyl)phenoxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine;methyl 2-[[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyrimidin-2-yl]-methylamino]acetate.

Molecular Properties

Compound Name3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine;4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine;3-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine;7-[4-[4-(difluoromethyl)phenoxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine;methyl 2-[[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyrimidin-2-yl]-methylamino]acetate
PubChem CID158272639
Molecular FormulaC91H71ClF10N16O11
Molecular Weight1790.10 g/mol
Exact Mass1788.50
IUPAC Name3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine;4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine;3-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine;7-[4-[4-(difluoromethyl)phenoxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine;methyl 2-[[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyrimidin-2-yl]-methylamino]acetate
SMILESCOC(=O)CN(C)c1ncc(Oc2ncccc2-c2cccnc2OC)cn1.COc1c(Cl)cncc1-c1cccnc1Oc1ccc(C(F)F)cc1.COc1c(F)cncc1-c1cccnc1Oc1ccc(C(F)F)cc1.COc1cc(F)ccc1-c1cncnc1Oc1ccc(C(C)(F)F)nc1.FC(F)c1ccc(Oc2ncncc2-c2cccc3ccnn23)cc1
InChIInChI=1S/C19H19N5O4.C18H13ClF2N2O2.C18H14F3N3O2.C18H13F3N2O2.C18H12F2N4O/c1-24(12-16(25)26-2)19-22-10-13(11-23-19)28-18-15(7-5-9-21-18)14-6-4-8-20-17(14)27-3;1-24-16-14(9-22-10-15(16)19)13-3-2-8-23-18(13)25-12-6-4-11(5-7-12)17(20)21;1-18(20,21)16-6-4-12(8-23-16)26-17-14(9-22-10-24-17)13-5-3-11(19)7-15(13)25-2;1-24-16-14(9-22-10-15(16)19)13-3-2-8-23-18(13)25-12-6-4-11(5-7-12)17(20)21;19-17(20)12-4-6-14(7-5-12)25-18-15(10-21-11-22-18)16-3-1-2-13-8-9-23-24(13)16/h4-11H,12H2,1-3H3;2-10,17H,1H3;3-10H,1-2H3;2-10,17H,1H3;1-11,17H
InChIKeyGJFOBUCMXYMSPP-UHFFFAOYSA-N
XLogP22.01
TPSA297.48 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds26
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001790.10
LogP ≤ 522.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine;4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine;3-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine;7-[4-[4-(difluoromethyl)phenoxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine;methyl 2-[[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyrimidin-2-yl]-methylamino]acetate with MolForge

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Launch Full Analysis

Related Compounds

[1-[3-Chloro-4-[6-[6-[[6-(difluoromethoxy)-3-pyridinyl]methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-yl] 2,2,2-trifluoroacetate
CID 134496000
1-[3-Chloro-4-[6-[6-[(6-ethoxy-5-fluoropyridin-3-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyridin-3-yl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-ol;2,2,2-trifluoroacetic acid
CID 134496100
[1-[3-Chloro-4-[6-[6-[(6-ethoxy-5-fluoro-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridin-6-yl]oxy-2-methylpropan-2-yl] 2,2,2-trifluoroacetate
CID 134496101
2-(4-Chlorophenoxy)-3-(4-methoxy-3-pyridinyl)pyridine;4-methoxy-5-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrimidine;4-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]-1,5-naphthyridine;7-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrazolo[1,5-a]pyridine;8-[2-[4-(trifluoromethyl)phenoxy]-3-pyridinyl]pyrido[3,4-b]pyrazine
CID 157210022
2-(1,1-difluoro-2-methoxyethyl)-5-[[3-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-N,N-dimethylpyrimidin-2-amine;5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]-2-(trifluoromethyl)pyrimidine;3-(2-methoxyphenyl)-2-[4-(trifluoromethyl)phenoxy]pyridine;methyl 2-[[5-[[3-(4-fluoro-2-methoxyphenyl)-2-pyridinyl]oxy]pyrimidin-2-yl]-methylamino]acetate
CID 161604664

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine;4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine;3-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine;7-[4-[4-(difluoromethyl)phenoxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine;methyl 2-[[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyrimidin-2-yl]-methylamino]acetate?
The IUPAC name of 3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine;4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine;3-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine;7-[4-[4-(difluoromethyl)phenoxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine;methyl 2-[[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyrimidin-2-yl]-methylamino]acetate (CID 158272639) is 3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine;4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine;3-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine;7-[4-[4-(difluoromethyl)phenoxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine;methyl 2-[[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyrimidin-2-yl]-methylamino]acetate.
What is the SMILES notation for 3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine;4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine;3-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine;7-[4-[4-(difluoromethyl)phenoxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine;methyl 2-[[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyrimidin-2-yl]-methylamino]acetate?
The canonical SMILES for 3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine;4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine;3-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine;7-[4-[4-(difluoromethyl)phenoxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine;methyl 2-[[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyrimidin-2-yl]-methylamino]acetate is COC(=O)CN(C)c1ncc(Oc2ncccc2-c2cccnc2OC)cn1.COc1c(Cl)cncc1-c1cccnc1Oc1ccc(C(F)F)cc1.COc1c(F)cncc1-c1cccnc1Oc1ccc(C(F)F)cc1.COc1cc(F)ccc1-c1cncnc1Oc1ccc(C(C)(F)F)nc1.FC(F)c1ccc(Oc2ncncc2-c2cccc3ccnn23)cc1.
What is the InChIKey of 3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine;4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine;3-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine;7-[4-[4-(difluoromethyl)phenoxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine;methyl 2-[[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyrimidin-2-yl]-methylamino]acetate?
The InChIKey is GJFOBUCMXYMSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4.C18H13ClF2N2O2.C18H14F3N3O2.C18H13F3N2O2.C18H12F2N4O/c1-24(12-16(25)26-2)19-22-10-13(11-23-19)28-18-15(7-5-9-21-18)14-6-4-8-20-17(14)27-3;1-24-16-14(9-22-10-15(16)19)13-3-2-8-23-18(13)25-12-6-4-11(5-7-12)17(20)21;1-18(20,21)16-6-4-12(8-23-16)26-17-14(9-22-10-24-17)13-5-3-11(19)7-15(13)25-2;1-24-16-14(9-22-10-15(16)19)13-3-2-8-23-18(13)25-12-6-4-11(5-7-12)17(20)21;19-17(20)12-4-6-14(7-5-12)25-18-15(10-21-11-22-18)16-3-1-2-13-8-9-23-24(13)16/h4-11H,12H2,1-3H3;2-10,17H,1H3;3-10H,1-2H3;2-10,17H,1H3;1-11,17H.
What are the key properties of 3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine;4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine;3-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine;7-[4-[4-(difluoromethyl)phenoxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine;methyl 2-[[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyrimidin-2-yl]-methylamino]acetate?
3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine;4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine;3-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine;7-[4-[4-(difluoromethyl)phenoxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine;methyl 2-[[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyrimidin-2-yl]-methylamino]acetate has a molecular weight of 1790.10 g/mol, XLogP of 22.01, 26 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-4-methoxypyridine;4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(4-fluoro-2-methoxyphenyl)pyrimidine;3-[2-[4-(difluoromethyl)phenoxy]-3-pyridinyl]-5-fluoro-4-methoxypyridine;7-[4-[4-(difluoromethyl)phenoxy]pyrimidin-5-yl]pyrazolo[1,5-a]pyridine;methyl 2-[[5-[[3-(2-methoxy-3-pyridinyl)-2-pyridinyl]oxy]pyrimidin-2-yl]-methylamino]acetate is sourced from PubChem (CID 158272639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).