2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

C86H74FN21O8S — CID 158760787

IUPAC2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCN(c1cncnc1)c1ccnc(C(=O)Cc2ncccc2F)c1.Cc1ccc(CC(=O)c2cc(Oc3cccnc3)ccn2)nc1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cnc(CC(=O)c2cc(Oc3cncnc3)ccn2)cc1C.Cc1csc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)n1
InChIInChI=1S/C18H16N4O2.C18H15N3O2.C17H14FN5O.C17H14N4O2.C16H15N5OS/c1-12-5-14(22-8-13(12)2)6-18(23)17-7-15(3-4-21-17)24-16-9-19-11-20-10-16;1-13-4-5-14(21-11-13)9-18(22)17-10-15(6-8-20-17)23-16-3-2-7-19-12-16;1-23(13-9-19-11-20-10-13)12-4-6-22-16(7-12)17(24)8-15-14(18)3-2-5-21-15;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;1-11-9-23-16(20-11)6-15(22)14-5-12(3-4-19-14)21(2)13-7-17-10-18-8-13/h3-5,7-11H,6H2,1-2H3;2-8,10-12H,9H2,1H3;2-7,9-11H,8H2,1H3;2-6,8-11H,7H2,1H3;3-5,7-10H,6H2,1-2H3
InChIKeyIOQGTNVCURMECF-UHFFFAOYSA-N
MW1580.74 g/mol
LogP14.72
Rot. Bonds25

About 2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone

2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (PubChem CID 158760787) has the molecular formula C86H74FN21O8S and a molecular weight of 1580.74 g/mol. Its IUPAC name is 2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.

Molecular Properties

Compound Name2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
PubChem CID158760787
Molecular FormulaC86H74FN21O8S
Molecular Weight1580.74 g/mol
Exact Mass1579.57
IUPAC Name2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone
SMILESCN(c1cncnc1)c1ccnc(C(=O)Cc2ncccc2F)c1.Cc1ccc(CC(=O)c2cc(Oc3cccnc3)ccn2)nc1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cnc(CC(=O)c2cc(Oc3cncnc3)ccn2)cc1C.Cc1csc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)n1
InChIInChI=1S/C18H16N4O2.C18H15N3O2.C17H14FN5O.C17H14N4O2.C16H15N5OS/c1-12-5-14(22-8-13(12)2)6-18(23)17-7-15(3-4-21-17)24-16-9-19-11-20-10-16;1-13-4-5-14(21-11-13)9-18(22)17-10-15(6-8-20-17)23-16-3-2-7-19-12-16;1-23(13-9-19-11-20-10-13)12-4-6-22-16(7-12)17(24)8-15-14(18)3-2-5-21-15;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;1-11-9-23-16(20-11)6-15(22)14-5-12(3-4-19-14)21(2)13-7-17-10-18-8-13/h3-5,7-11H,6H2,1-2H3;2-8,10-12H,9H2,1H3;2-7,9-11H,8H2,1H3;2-6,8-11H,7H2,1H3;3-5,7-10H,6H2,1-2H3
InChIKeyIOQGTNVCURMECF-UHFFFAOYSA-N
XLogP14.72
TPSA364.43 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms117
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001580.74
LogP ≤ 514.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The IUPAC name of 2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone (CID 158760787) is 2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone.
What is the SMILES notation for 2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The canonical SMILES for 2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is CN(c1cncnc1)c1ccnc(C(=O)Cc2ncccc2F)c1.Cc1ccc(CC(=O)c2cc(Oc3cccnc3)ccn2)nc1.Cc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cc1cnc(CC(=O)c2cc(Oc3cncnc3)ccn2)cc1C.Cc1csc(CC(=O)c2cc(N(C)c3cncnc3)ccn2)n1.
What is the InChIKey of 2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
The InChIKey is IOQGTNVCURMECF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2.C18H15N3O2.C17H14FN5O.C17H14N4O2.C16H15N5OS/c1-12-5-14(22-8-13(12)2)6-18(23)17-7-15(3-4-21-17)24-16-9-19-11-20-10-16;1-13-4-5-14(21-11-13)9-18(22)17-10-15(6-8-20-17)23-16-3-2-7-19-12-16;1-23(13-9-19-11-20-10-13)12-4-6-22-16(7-12)17(24)8-15-14(18)3-2-5-21-15;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;1-11-9-23-16(20-11)6-15(22)14-5-12(3-4-19-14)21(2)13-7-17-10-18-8-13/h3-5,7-11H,6H2,1-2H3;2-8,10-12H,9H2,1H3;2-7,9-11H,8H2,1H3;2-6,8-11H,7H2,1H3;3-5,7-10H,6H2,1-2H3.
What are the key properties of 2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone?
2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone has a molecular weight of 1580.74 g/mol, XLogP of 14.72, 25 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dimethyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;2-(3-fluoro-2-pyridinyl)-1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]ethanone;2-(5-methyl-2-pyridinyl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone;1-[4-[methyl(pyrimidin-5-yl)amino]-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone is sourced from PubChem (CID 158760787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).