bis(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

C119H96N24O14S — CID 160676149

IUPACbis(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)n1.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/2C18H15N3O2.2C17H14N4O2.C17H13N3O2.C16H12N4O2.C16H13N3O2S/c2*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*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
InChIKeyRNOBOROXIIBYKA-UHFFFAOYSA-N
MW2118.30 g/mol
LogP21.41
Rot. Bonds35

About bis(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

bis(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 160676149) has the molecular formula C119H96N24O14S and a molecular weight of 2118.30 g/mol. Its IUPAC name is bis(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 Namebis(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 CID160676149
Molecular FormulaC119H96N24O14S
Molecular Weight2118.30 g/mol
Exact Mass2116.73
IUPAC Namebis(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)n1.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/2C18H15N3O2.2C17H14N4O2.C17H13N3O2.C16H12N4O2.C16H13N3O2S/c2*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*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
InChIKeyRNOBOROXIIBYKA-UHFFFAOYSA-N
XLogP21.41
TPSA493.46 Ų
H-Bond Donors
H-Bond Acceptors39
Rotatable Bonds35
Heavy Atoms158
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002118.30
LogP ≤ 521.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1039

Analyze bis(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 bis(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 bis(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 160676149) is bis(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 bis(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 bis(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)n1.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 bis(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 RNOBOROXIIBYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C18H15N3O2.2C17H14N4O2.C17H13N3O2.C16H12N4O2.C16H13N3O2S/c2*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*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 bis(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?
bis(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 2118.30 g/mol, XLogP of 21.41, 35 rotatable bonds, 0 hydrogen bond donors, and 39 hydrogen bond acceptors.
Where does this data come from?
All data for bis(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 160676149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).