4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;5-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;5-(2-methoxy-3-pyridinyl)-4-[4-(trifluoromethyl)phenoxy]pyrimidine

C96H75F11N18O10 — CID 159199552

IUPAC4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;5-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;5-(2-methoxy-3-pyridinyl)-4-[4-(trifluoromethyl)phenoxy]pyrimidine
SMILESCC(F)(F)c1ccc(Oc2ncncc2-c2cccc3c2OCC3)cn1.COCC(F)(F)c1ccc(Oc2ncccc2-c2cccc3ncnn23)cn1.COc1ccccc1-c1cccnc1Oc1ccc(C(F)(F)Cn2cccn2)nc1.COc1ncccc1-c1cncnc1Oc1ccc(C(F)(F)F)cc1.Cc1cc(Oc2ncncc2-c2cccc3c2OCC3)cnc1C(F)F
InChIInChI=1S/C22H18F2N4O2.C19H15F2N5O2.2C19H15F2N3O2.C17H12F3N3O2/c1-29-19-8-3-2-6-17(19)18-7-4-11-25-21(18)30-16-9-10-20(26-14-16)22(23,24)15-28-13-5-12-27-28;1-27-11-19(20,21)16-8-7-13(10-23-16)28-18-14(4-3-9-22-18)15-5-2-6-17-24-12-25-26(15)17;1-11-7-13(8-23-16(11)18(20)21)26-19-15(9-22-10-24-19)14-4-2-3-12-5-6-25-17(12)14;1-19(20,21)16-6-5-13(9-23-16)26-18-15(10-22-11-24-18)14-4-2-3-12-7-8-25-17(12)14;1-24-15-13(3-2-8-22-15)14-9-21-10-23-16(14)25-12-6-4-11(5-7-12)17(18,19)20/h2-14H,15H2,1H3;2-10,12H,11H2,1H3;2-4,7-10,18H,5-6H2,1H3;2-6,9-11H,7-8H2,1H3;2-10H,1H3
InChIKeyKPCNUTXJECNKSQ-UHFFFAOYSA-N
MW1849.75 g/mol
LogP21.90
Rot. Bonds25

About 4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;5-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;5-(2-methoxy-3-pyridinyl)-4-[4-(trifluoromethyl)phenoxy]pyrimidine

4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;5-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;5-(2-methoxy-3-pyridinyl)-4-[4-(trifluoromethyl)phenoxy]pyrimidine (PubChem CID 159199552) has the molecular formula C96H75F11N18O10 and a molecular weight of 1849.75 g/mol. Its IUPAC name is 4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;5-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;5-(2-methoxy-3-pyridinyl)-4-[4-(trifluoromethyl)phenoxy]pyrimidine.

Molecular Properties

Compound Name4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;5-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;5-(2-methoxy-3-pyridinyl)-4-[4-(trifluoromethyl)phenoxy]pyrimidine
PubChem CID159199552
Molecular FormulaC96H75F11N18O10
Molecular Weight1849.75 g/mol
Exact Mass1848.57
IUPAC Name4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;5-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;5-(2-methoxy-3-pyridinyl)-4-[4-(trifluoromethyl)phenoxy]pyrimidine
SMILESCC(F)(F)c1ccc(Oc2ncncc2-c2cccc3c2OCC3)cn1.COCC(F)(F)c1ccc(Oc2ncccc2-c2cccc3ncnn23)cn1.COc1ccccc1-c1cccnc1Oc1ccc(C(F)(F)Cn2cccn2)nc1.COc1ncccc1-c1cncnc1Oc1ccc(C(F)(F)F)cc1.Cc1cc(Oc2ncncc2-c2cccc3c2OCC3)cnc1C(F)F
InChIInChI=1S/C22H18F2N4O2.C19H15F2N5O2.2C19H15F2N3O2.C17H12F3N3O2/c1-29-19-8-3-2-6-17(19)18-7-4-11-25-21(18)30-16-9-10-20(26-14-16)22(23,24)15-28-13-5-12-27-28;1-27-11-19(20,21)16-8-7-13(10-23-16)28-18-14(4-3-9-22-18)15-5-2-6-17-24-12-25-26(15)17;1-11-7-13(8-23-16(11)18(20)21)26-19-15(9-22-10-24-19)14-4-2-3-12-5-6-25-17(12)14;1-19(20,21)16-6-5-13(9-23-16)26-18-15(10-22-11-24-18)14-4-2-3-12-7-8-25-17(12)14;1-24-15-13(3-2-8-22-15)14-9-21-10-23-16(14)25-12-6-4-11(5-7-12)17(18,19)20/h2-14H,15H2,1H3;2-10,12H,11H2,1H3;2-4,7-10,18H,5-6H2,1H3;2-6,9-11H,7-8H2,1H3;2-10H,1H3
InChIKeyKPCNUTXJECNKSQ-UHFFFAOYSA-N
XLogP21.90
TPSA307.88 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds25
Heavy Atoms135
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001849.75
LogP ≤ 521.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Analyze 4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;5-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;5-(2-methoxy-3-pyridinyl)-4-[4-(trifluoromethyl)phenoxy]pyrimidine with MolForge

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Launch Full Analysis

Related Compounds

2-{4-[4-Pyridin-4-yl-1-(2,2,2-trifluoro-ethyl)-1-H-pyrazol-3-yl]-phenoxymethyl}-[1,2,4]triazolo[1,5-a]pyridine
CID 23648677
1,2-Bis[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis(3-piperidin-4-ylphenyl)hydrazine
CID 87577177
1,2-Bis[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[4-(2-morpholin-4-ylethoxy)phenyl]hydrazine
CID 89924563
1,2-Bis[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[4-(2-pyrrolidin-1-ylethoxy)phenyl]hydrazine
CID 89924641
3,5-Bis[6-(4-fluorophenyl)-4-(4-phenylmethoxyphenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]pentane-1,4-diol
CID 90940313
1-[8-(4-Fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2-[8-[2-methoxy-5-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-1,2-bis[3-(4-methylpiperazin-1-yl)phenyl]hydrazine
CID 91604147
4-[4-[5-(4-Fluorophenoxy)pyrimidin-2-yl]piperazin-1-yl]-2-[[4-[4-[4-[5-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazine
CID 124012055
5-[2-[6-(1,1-Difluoro-2-methoxyethyl)pyridin-3-yl]oxypyridin-3-yl]-[1,2,4]triazolo[1,5-a]pyridine
CID 126714416
3-(1,1-Difluoroethyl)-6-[2-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;3-(1,1-difluoroethyl)-6-[4-methyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane
CID 142362322
3-(1,1-Difluoroethyl)-6-[6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane;6-[2-methoxy-4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
CID 142362424
3-(1,1-Difluoroethyl)-6-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-[1,2,4]triazolo[4,3-b]pyridazine;ethane;3-(oxan-3-ylmethyl)-6-[4-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 142362450
3-(1,1-Difluoroethyl)-5-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;ethane;3-(1-fluoroethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine;5-[4-(2-methoxypropan-2-yl)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 142362599

Frequently Asked Questions

What is the IUPAC name of 4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;5-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;5-(2-methoxy-3-pyridinyl)-4-[4-(trifluoromethyl)phenoxy]pyrimidine?
The IUPAC name of 4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;5-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;5-(2-methoxy-3-pyridinyl)-4-[4-(trifluoromethyl)phenoxy]pyrimidine (CID 159199552) is 4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;5-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;5-(2-methoxy-3-pyridinyl)-4-[4-(trifluoromethyl)phenoxy]pyrimidine.
What is the SMILES notation for 4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;5-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;5-(2-methoxy-3-pyridinyl)-4-[4-(trifluoromethyl)phenoxy]pyrimidine?
The canonical SMILES for 4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;5-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;5-(2-methoxy-3-pyridinyl)-4-[4-(trifluoromethyl)phenoxy]pyrimidine is CC(F)(F)c1ccc(Oc2ncncc2-c2cccc3c2OCC3)cn1.COCC(F)(F)c1ccc(Oc2ncccc2-c2cccc3ncnn23)cn1.COc1ccccc1-c1cccnc1Oc1ccc(C(F)(F)Cn2cccn2)nc1.COc1ncccc1-c1cncnc1Oc1ccc(C(F)(F)F)cc1.Cc1cc(Oc2ncncc2-c2cccc3c2OCC3)cnc1C(F)F.
What is the InChIKey of 4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;5-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;5-(2-methoxy-3-pyridinyl)-4-[4-(trifluoromethyl)phenoxy]pyrimidine?
The InChIKey is KPCNUTXJECNKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O2.C19H15F2N5O2.2C19H15F2N3O2.C17H12F3N3O2/c1-29-19-8-3-2-6-17(19)18-7-4-11-25-21(18)30-16-9-10-20(26-14-16)22(23,24)15-28-13-5-12-27-28;1-27-11-19(20,21)16-8-7-13(10-23-16)28-18-14(4-3-9-22-18)15-5-2-6-17-24-12-25-26(15)17;1-11-7-13(8-23-16(11)18(20)21)26-19-15(9-22-10-24-19)14-4-2-3-12-5-6-25-17(12)14;1-19(20,21)16-6-5-13(9-23-16)26-18-15(10-22-11-24-18)14-4-2-3-12-7-8-25-17(12)14;1-24-15-13(3-2-8-22-15)14-9-21-10-23-16(14)25-12-6-4-11(5-7-12)17(18,19)20/h2-14H,15H2,1H3;2-10,12H,11H2,1H3;2-4,7-10,18H,5-6H2,1H3;2-6,9-11H,7-8H2,1H3;2-10H,1H3.
What are the key properties of 4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;5-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;5-(2-methoxy-3-pyridinyl)-4-[4-(trifluoromethyl)phenoxy]pyrimidine?
4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;5-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;5-(2-methoxy-3-pyridinyl)-4-[4-(trifluoromethyl)phenoxy]pyrimidine has a molecular weight of 1849.75 g/mol, XLogP of 21.90, 25 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-(1,1-difluoroethyl)-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;5-[2-[[6-(1,1-difluoro-2-methoxyethyl)-3-pyridinyl]oxy]-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;4-[[6-(difluoromethyl)-5-methyl-3-pyridinyl]oxy]-5-(2,3-dihydro-1-benzofuran-7-yl)pyrimidine;2-(1,1-difluoro-2-pyrazol-1-ylethyl)-5-[[3-(2-methoxyphenyl)-2-pyridinyl]oxy]pyridine;5-(2-methoxy-3-pyridinyl)-4-[4-(trifluoromethyl)phenoxy]pyrimidine is sourced from PubChem (CID 159199552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).