2-(3-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

C120H97N23O14S — CID 159098986

IUPAC2-(3-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESCc1cccc(CC(=O)c2cc(Oc3cccnc3)ccn2)c1.Cc1cccc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1csc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.O=C(Cc1ccccn1)c1cc(Oc2cccnc2)ccn1.O=C(Cc1ccccn1)c1cc(Oc2cncnc2)ccn1
InChIInChI=1S/C19H16N2O2.C18H15N3O2.2C17H14N4O2.C17H13N3O2.C16H12N4O2.C16H13N3O2S/c1-14-4-2-5-15(10-14)11-19(22)18-12-16(7-9-21-18)23-17-6-3-8-20-13-17;1-13-4-2-5-14(21-13)10-18(22)17-11-15(7-9-20-17)23-16-6-3-8-19-12-16;2*1-12-3-2-4-13(21-12)7-17(22)16-8-14(5-6-20-16)23-15-9-18-11-19-10-15;21-17(10-13-4-1-2-8-19-13)16-11-14(6-9-20-16)22-15-5-3-7-18-12-15;21-16(7-12-3-1-2-5-19-12)15-8-13(4-6-20-15)22-14-9-17-11-18-10-14;1-11-10-22-16(19-11)8-15(20)14-7-12(4-6-18-14)21-13-3-2-5-17-9-13/h2-10,12-13H,11H2,1H3;2-9,11-12H,10H2,1H3;2*2-6,8-11H,7H2,1H3;1-9,11-12H,10H2;1-6,8-11H,7H2;2-7,9-10H,8H2,1H3
InChIKeyKDAOKHVOKXMTKP-UHFFFAOYSA-N
MW2117.31 g/mol
LogP22.02
Rot. Bonds35

About 2-(3-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

2-(3-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (PubChem CID 159098986) has the molecular formula C120H97N23O14S and a molecular weight of 2117.31 g/mol. Its IUPAC name is 2-(3-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(3-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
PubChem CID159098986
Molecular FormulaC120H97N23O14S
Molecular Weight2117.31 g/mol
Exact Mass2115.73
IUPAC Name2-(3-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
SMILESCc1cccc(CC(=O)c2cc(Oc3cccnc3)ccn2)c1.Cc1cccc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1csc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.O=C(Cc1ccccn1)c1cc(Oc2cccnc2)ccn1.O=C(Cc1ccccn1)c1cc(Oc2cncnc2)ccn1
InChIInChI=1S/C19H16N2O2.C18H15N3O2.2C17H14N4O2.C17H13N3O2.C16H12N4O2.C16H13N3O2S/c1-14-4-2-5-15(10-14)11-19(22)18-12-16(7-9-21-18)23-17-6-3-8-20-13-17;1-13-4-2-5-14(21-13)10-18(22)17-11-15(7-9-20-17)23-16-6-3-8-19-12-16;2*1-12-3-2-4-13(21-12)7-17(22)16-8-14(5-6-20-16)23-15-9-18-11-19-10-15;21-17(10-13-4-1-2-8-19-13)16-11-14(6-9-20-16)22-15-5-3-7-18-12-15;21-16(7-12-3-1-2-5-19-12)15-8-13(4-6-20-15)22-14-9-17-11-18-10-14;1-11-10-22-16(19-11)8-15(20)14-7-12(4-6-18-14)21-13-3-2-5-17-9-13/h2-10,12-13H,11H2,1H3;2-9,11-12H,10H2,1H3;2*2-6,8-11H,7H2,1H3;1-9,11-12H,10H2;1-6,8-11H,7H2;2-7,9-10H,8H2,1H3
InChIKeyKDAOKHVOKXMTKP-UHFFFAOYSA-N
XLogP22.02
TPSA480.57 Ų
H-Bond Donors
H-Bond Acceptors38
Rotatable Bonds35
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002117.31
LogP ≤ 522.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1038

Analyze 2-(3-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The IUPAC name of 2-(3-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (CID 159098986) is 2-(3-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.
What is the SMILES notation for 2-(3-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The canonical SMILES for 2-(3-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is Cc1cccc(CC(=O)c2cc(Oc3cccnc3)ccn2)c1.Cc1cccc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1csc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.O=C(Cc1ccccn1)c1cc(Oc2cccnc2)ccn1.O=C(Cc1ccccn1)c1cc(Oc2cncnc2)ccn1.
What is the InChIKey of 2-(3-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
The InChIKey is KDAOKHVOKXMTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2.C18H15N3O2.2C17H14N4O2.C17H13N3O2.C16H12N4O2.C16H13N3O2S/c1-14-4-2-5-15(10-14)11-19(22)18-12-16(7-9-21-18)23-17-6-3-8-20-13-17;1-13-4-2-5-14(21-13)10-18(22)17-11-15(7-9-20-17)23-16-6-3-8-19-12-16;2*1-12-3-2-4-13(21-12)7-17(22)16-8-14(5-6-20-16)23-15-9-18-11-19-10-15;21-17(10-13-4-1-2-8-19-13)16-11-14(6-9-20-16)22-15-5-3-7-18-12-15;21-16(7-12-3-1-2-5-19-12)15-8-13(4-6-20-15)22-14-9-17-11-18-10-14;1-11-10-22-16(19-11)8-15(20)14-7-12(4-6-18-14)21-13-3-2-5-17-9-13/h2-10,12-13H,11H2,1H3;2-9,11-12H,10H2,1H3;2*2-6,8-11H,7H2,1H3;1-9,11-12H,10H2;1-6,8-11H,7H2;2-7,9-10H,8H2,1H3.
What are the key properties of 2-(3-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?
2-(3-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone has a molecular weight of 2117.31 g/mol, XLogP of 22.02, 35 rotatable bonds, 0 hydrogen bond donors, and 38 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylphenyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;bis(2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone);2-(4-methyl-1,3-thiazol-2-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-pyridin-2-yl-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 159098986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).