2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone

C105H87F5N24O13 — CID 158160435

IUPAC2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESCC(F)(F)c1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.CC(F)c1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F.CCc1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F.COc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cc(CC(=O)c2cc(Oc3cccnc3)ccn2)ccn1.Cc1nc(CC(=O)c2cc(Oc3cccnc3)ccn2)nn1C
InChIInChI=1S/2C18H14F2N4O2.C18H15FN4O2.C18H15N3O2.C17H14N4O3.C16H15N5O2/c1-11(19)18-15(20)3-2-12(24-18)6-17(25)16-7-13(4-5-23-16)26-14-8-21-10-22-9-14;1-18(19,20)17-4-2-3-12(24-17)7-16(25)15-8-13(5-6-23-15)26-14-9-21-11-22-10-14;1-2-16-15(19)4-3-12(23-16)7-18(24)17-8-13(5-6-22-17)25-14-9-20-11-21-10-14;1-13-9-14(4-7-20-13)10-18(22)17-11-15(5-8-21-17)23-16-3-2-6-19-12-16;1-23-17-4-2-3-12(21-17)7-16(22)15-8-13(5-6-20-15)24-14-9-18-11-19-10-14;1-11-19-16(20-21(11)2)9-15(22)14-8-12(5-7-18-14)23-13-4-3-6-17-10-13/h2-5,7-11H,6H2,1H3;2-6,8-11H,7H2,1H3;3-6,8-11H,2,7H2,1H3;2-9,11-12H,10H2,1H3;2-6,8-11H,7H2,1H3;3-8,10H,9H2,1-2H3
InChIKeyFWEYHALTOCRFGZ-UHFFFAOYSA-N
MW1988.00 g/mol
LogP18.46
Rot. Bonds34

About 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone

2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (PubChem CID 158160435) has the molecular formula C105H87F5N24O13 and a molecular weight of 1988.00 g/mol. Its IUPAC name is 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
PubChem CID158160435
Molecular FormulaC105H87F5N24O13
Molecular Weight1988.00 g/mol
Exact Mass1986.68
IUPAC Name2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
SMILESCC(F)(F)c1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.CC(F)c1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F.CCc1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F.COc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cc(CC(=O)c2cc(Oc3cccnc3)ccn2)ccn1.Cc1nc(CC(=O)c2cc(Oc3cccnc3)ccn2)nn1C
InChIInChI=1S/2C18H14F2N4O2.C18H15FN4O2.C18H15N3O2.C17H14N4O3.C16H15N5O2/c1-11(19)18-15(20)3-2-12(24-18)6-17(25)16-7-13(4-5-23-16)26-14-8-21-10-22-9-14;1-18(19,20)17-4-2-3-12(24-17)7-16(25)15-8-13(5-6-23-15)26-14-9-21-11-22-10-14;1-2-16-15(19)4-3-12(23-16)7-18(24)17-8-13(5-6-22-17)25-14-9-20-11-21-10-14;1-13-9-14(4-7-20-13)10-18(22)17-11-15(5-8-21-17)23-16-3-2-6-19-12-16;1-23-17-4-2-3-12(21-17)7-16(22)15-8-13(5-6-20-15)24-14-9-18-11-19-10-14;1-11-19-16(20-21(11)2)9-15(22)14-8-12(5-7-18-14)23-13-4-3-6-17-10-13/h2-5,7-11H,6H2,1H3;2-6,8-11H,7H2,1H3;3-6,8-11H,2,7H2,1H3;2-9,11-12H,10H2,1H3;2-6,8-11H,7H2,1H3;3-8,10H,9H2,1-2H3
InChIKeyFWEYHALTOCRFGZ-UHFFFAOYSA-N
XLogP18.46
TPSA468.43 Ų
H-Bond Donors
H-Bond Acceptors37
Rotatable Bonds34
Heavy Atoms147
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001988.00
LogP ≤ 518.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1037

Analyze 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

2-[6-(1,1-Difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone
CID 123597482
2-Cycloheptyl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(4-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
CID 123965770
1-[6-[(5-Fluoro-3-pyridinyl)oxy]-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone
CID 146842871
1-[6-[(5-Fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-methyl-2-pyridinyl)ethanone
CID 147300052
1-[6-[(5-Fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-methoxy-2-pyridinyl)ethanone
CID 147498961
1-[6-[(5-Fluoro-3-pyridinyl)oxy]-2-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(6-methyl-2-pyridinyl)ethanone
CID 147766328
2-(5-Fluoro-2-pyridinyl)-1-(6-pyrimidin-5-yloxy-[1,2,4]triazolo[4,3-a]pyridin-8-yl)ethanone
CID 148406837
1-[6-[(4,5-Difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-(5-fluoro-2-pyridinyl)ethanone
CID 148770557
1-[6-[(4,5-Difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone
CID 148949973
2-(4-Fluoro-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethanone
CID 149237640
1-[6-[(2,5-Difluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-2-pyridin-2-ylethanone
CID 149302693
2-(5-Fluoro-6-methyl-2-pyridinyl)-1-[6-[(5-fluoro-3-pyridinyl)oxy]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]ethanone
CID 149526076

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone (CID 158160435) is 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is CC(F)(F)c1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.CC(F)c1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F.CCc1nc(CC(=O)c2cc(Oc3cncnc3)ccn2)ccc1F.COc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cc(CC(=O)c2cc(Oc3cccnc3)ccn2)ccn1.Cc1nc(CC(=O)c2cc(Oc3cccnc3)ccn2)nn1C.
What is the InChIKey of 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
The InChIKey is FWEYHALTOCRFGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H14F2N4O2.C18H15FN4O2.C18H15N3O2.C17H14N4O3.C16H15N5O2/c1-11(19)18-15(20)3-2-12(24-18)6-17(25)16-7-13(4-5-23-16)26-14-8-21-10-22-9-14;1-18(19,20)17-4-2-3-12(24-17)7-16(25)15-8-13(5-6-23-15)26-14-9-21-11-22-10-14;1-2-16-15(19)4-3-12(23-16)7-18(24)17-8-13(5-6-22-17)25-14-9-20-11-21-10-14;1-13-9-14(4-7-20-13)10-18(22)17-11-15(5-8-21-17)23-16-3-2-6-19-12-16;1-23-17-4-2-3-12(21-17)7-16(22)15-8-13(5-6-20-15)24-14-9-18-11-19-10-14;1-11-19-16(20-21(11)2)9-15(22)14-8-12(5-7-18-14)23-13-4-3-6-17-10-13/h2-5,7-11H,6H2,1H3;2-6,8-11H,7H2,1H3;3-6,8-11H,2,7H2,1H3;2-9,11-12H,10H2,1H3;2-6,8-11H,7H2,1H3;3-8,10H,9H2,1-2H3.
What are the key properties of 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone?
2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone has a molecular weight of 1988.00 g/mol, XLogP of 18.46, 34 rotatable bonds, 0 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,1-difluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(1,5-dimethyl-1,2,4-triazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-ethyl-5-fluoro-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-[5-fluoro-6-(1-fluoroethyl)-2-pyridinyl]-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(6-methoxy-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(2-methyl-4-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 158160435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).