1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone

C99H91ClF2N16O10 — CID 160636667

IUPAC1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone
SMILESCCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2ccc(C)cn2)n1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cccc(C)n2)n1.CCc1cc(Oc2cncnc2)cc(C(=O)Cc2ccc(C)c(C)n2)n1.Cc1ccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)nc1.Cc1ccc(Oc2cc(C)nc(C(=O)Cc3cccc(C)n3)c2)cn1
InChIInChI=1S/2C20H18FN3O2.C20H20N4O2.C20H19N3O2.C19H16ClN3O2/c1-3-15-7-17(26-18-6-14(21)11-22-12-18)9-19(24-15)20(25)8-16-5-4-13(2)10-23-16;1-3-15-8-17(26-18-7-14(21)11-22-12-18)10-19(24-15)20(25)9-16-6-4-5-13(2)23-16;1-4-15-7-17(26-18-10-21-12-22-11-18)9-19(24-15)20(25)8-16-6-5-13(2)14(3)23-16;1-13-7-8-17(12-21-13)25-18-9-15(3)23-19(11-18)20(24)10-16-6-4-5-14(2)22-16;1-12-3-4-15(22-9-12)7-19(24)18-8-16(5-13(2)23-18)25-17-6-14(20)10-21-11-17/h4-7,9-12H,3,8H2,1-2H3;4-8,10-12H,3,9H2,1-2H3;5-7,9-12H,4,8H2,1-3H3;4-9,11-12H,10H2,1-3H3;3-6,8-11H,7H2,1-2H3
InChIKeyRIPWLAJWAHGVMI-UHFFFAOYSA-N
MW1738.37 g/mol
LogP20.24
Rot. Bonds28

About 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone

1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone (PubChem CID 160636667) has the molecular formula C99H91ClF2N16O10 and a molecular weight of 1738.37 g/mol. Its IUPAC name is 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone.

Molecular Properties

Compound Name1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone
PubChem CID160636667
Molecular FormulaC99H91ClF2N16O10
Molecular Weight1738.37 g/mol
Exact Mass1736.68
IUPAC Name1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone
SMILESCCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2ccc(C)cn2)n1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cccc(C)n2)n1.CCc1cc(Oc2cncnc2)cc(C(=O)Cc2ccc(C)c(C)n2)n1.Cc1ccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)nc1.Cc1ccc(Oc2cc(C)nc(C(=O)Cc3cccc(C)n3)c2)cn1
InChIInChI=1S/2C20H18FN3O2.C20H20N4O2.C20H19N3O2.C19H16ClN3O2/c1-3-15-7-17(26-18-6-14(21)11-22-12-18)9-19(24-15)20(25)8-16-5-4-13(2)10-23-16;1-3-15-8-17(26-18-7-14(21)11-22-12-18)10-19(24-15)20(25)9-16-6-4-5-13(2)23-16;1-4-15-7-17(26-18-10-21-12-22-11-18)9-19(24-15)20(25)8-16-6-5-13(2)14(3)23-16;1-13-7-8-17(12-21-13)25-18-9-15(3)23-19(11-18)20(24)10-16-6-4-5-14(2)22-16;1-12-3-4-15(22-9-12)7-19(24)18-8-16(5-13(2)23-18)25-17-6-14(20)10-21-11-17/h4-7,9-12H,3,8H2,1-2H3;4-8,10-12H,3,9H2,1-2H3;5-7,9-12H,4,8H2,1-3H3;4-9,11-12H,10H2,1-3H3;3-6,8-11H,7H2,1-2H3
InChIKeyRIPWLAJWAHGVMI-UHFFFAOYSA-N
XLogP20.24
TPSA337.74 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds28
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001738.37
LogP ≤ 520.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone?
The IUPAC name of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone (CID 160636667) is 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone.
What is the SMILES notation for 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone?
The canonical SMILES for 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone is CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2ccc(C)cn2)n1.CCc1cc(Oc2cncc(F)c2)cc(C(=O)Cc2cccc(C)n2)n1.CCc1cc(Oc2cncnc2)cc(C(=O)Cc2ccc(C)c(C)n2)n1.Cc1ccc(CC(=O)c2cc(Oc3cncc(Cl)c3)cc(C)n2)nc1.Cc1ccc(Oc2cc(C)nc(C(=O)Cc3cccc(C)n3)c2)cn1.
What is the InChIKey of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone?
The InChIKey is RIPWLAJWAHGVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H18FN3O2.C20H20N4O2.C20H19N3O2.C19H16ClN3O2/c1-3-15-7-17(26-18-6-14(21)11-22-12-18)9-19(24-15)20(25)8-16-5-4-13(2)10-23-16;1-3-15-8-17(26-18-7-14(21)11-22-12-18)10-19(24-15)20(25)9-16-6-4-5-13(2)23-16;1-4-15-7-17(26-18-10-21-12-22-11-18)9-19(24-15)20(25)8-16-6-5-13(2)14(3)23-16;1-13-7-8-17(12-21-13)25-18-9-15(3)23-19(11-18)20(24)10-16-6-4-5-14(2)22-16;1-12-3-4-15(22-9-12)7-19(24)18-8-16(5-13(2)23-18)25-17-6-14(20)10-21-11-17/h4-7,9-12H,3,8H2,1-2H3;4-8,10-12H,3,9H2,1-2H3;5-7,9-12H,4,8H2,1-3H3;4-9,11-12H,10H2,1-3H3;3-6,8-11H,7H2,1-2H3.
What are the key properties of 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone?
1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone has a molecular weight of 1738.37 g/mol, XLogP of 20.24, 28 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-chloro-3-pyridinyl)oxy]-6-methyl-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;2-(5,6-dimethyl-2-pyridinyl)-1-(6-ethyl-4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone;1-[6-ethyl-4-[(5-fluoro-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-[(6-methyl-3-pyridinyl)oxy]-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone is sourced from PubChem (CID 160636667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).