2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone)

C94H87FN20O10 — CID 157137805

IUPAC2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone)
SMILESCc1cc(Oc2cnc(C)nc2)cc(C(=O)Cc2cc(F)ccn2)n1.Cc1ccc(CC(=O)c2cc(Oc3cnc(C)nc3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cnc(C)nc3)cc(C)n2)nc1.Cc1cccc(CC(=O)c2cc(Oc3cnc(C)nc3)cc(C)n2)n1.Cc1cccc(CC(=O)c2cc(Oc3cnc(C)nc3)cc(C)n2)n1
InChIInChI=1S/4C19H18N4O2.C18H15FN4O2/c2*1-12-4-5-15(22-9-12)7-19(24)18-8-16(6-13(2)23-18)25-17-10-20-14(3)21-11-17;2*1-12-5-4-6-15(22-12)8-19(24)18-9-16(7-13(2)23-18)25-17-10-20-14(3)21-11-17;1-11-5-15(25-16-9-21-12(2)22-10-16)8-17(23-11)18(24)7-14-6-13(19)3-4-20-14/h2*4-6,8-11H,7H2,1-3H3;2*4-7,9-11H,8H2,1-3H3;3-6,8-10H,7H2,1-2H3
InChIKeyAJVISFAFBIPGSB-UHFFFAOYSA-N
MW1675.86 g/mol
LogP16.88
Rot. Bonds25

About 2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone)

2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone) (PubChem CID 157137805) has the molecular formula C94H87FN20O10 and a molecular weight of 1675.86 g/mol. Its IUPAC name is 2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone).

Molecular Properties

Compound Name2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone)
PubChem CID157137805
Molecular FormulaC94H87FN20O10
Molecular Weight1675.86 g/mol
Exact Mass1674.69
IUPAC Name2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone)
SMILESCc1cc(Oc2cnc(C)nc2)cc(C(=O)Cc2cc(F)ccn2)n1.Cc1ccc(CC(=O)c2cc(Oc3cnc(C)nc3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cnc(C)nc3)cc(C)n2)nc1.Cc1cccc(CC(=O)c2cc(Oc3cnc(C)nc3)cc(C)n2)n1.Cc1cccc(CC(=O)c2cc(Oc3cnc(C)nc3)cc(C)n2)n1
InChIInChI=1S/4C19H18N4O2.C18H15FN4O2/c2*1-12-4-5-15(22-9-12)7-19(24)18-8-16(6-13(2)23-18)25-17-10-20-14(3)21-11-17;2*1-12-5-4-6-15(22-12)8-19(24)18-9-16(7-13(2)23-18)25-17-10-20-14(3)21-11-17;1-11-5-15(25-16-9-21-12(2)22-10-16)8-17(23-11)18(24)7-14-6-13(19)3-4-20-14/h2*4-6,8-11H,7H2,1-3H3;2*4-7,9-11H,8H2,1-3H3;3-6,8-10H,7H2,1-2H3
InChIKeyAJVISFAFBIPGSB-UHFFFAOYSA-N
XLogP16.88
TPSA389.30 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds25
Heavy Atoms125
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001675.86
LogP ≤ 516.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze 2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone) with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone)?
The IUPAC name of 2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone) (CID 157137805) is 2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone).
What is the SMILES notation for 2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone)?
The canonical SMILES for 2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone) is Cc1cc(Oc2cnc(C)nc2)cc(C(=O)Cc2cc(F)ccn2)n1.Cc1ccc(CC(=O)c2cc(Oc3cnc(C)nc3)cc(C)n2)nc1.Cc1ccc(CC(=O)c2cc(Oc3cnc(C)nc3)cc(C)n2)nc1.Cc1cccc(CC(=O)c2cc(Oc3cnc(C)nc3)cc(C)n2)n1.Cc1cccc(CC(=O)c2cc(Oc3cnc(C)nc3)cc(C)n2)n1.
What is the InChIKey of 2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone)?
The InChIKey is AJVISFAFBIPGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/4C19H18N4O2.C18H15FN4O2/c2*1-12-4-5-15(22-9-12)7-19(24)18-8-16(6-13(2)23-18)25-17-10-20-14(3)21-11-17;2*1-12-5-4-6-15(22-12)8-19(24)18-9-16(7-13(2)23-18)25-17-10-20-14(3)21-11-17;1-11-5-15(25-16-9-21-12(2)22-10-16)8-17(23-11)18(24)7-14-6-13(19)3-4-20-14/h2*4-6,8-11H,7H2,1-3H3;2*4-7,9-11H,8H2,1-3H3;3-6,8-10H,7H2,1-2H3.
What are the key properties of 2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone)?
2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone) has a molecular weight of 1675.86 g/mol, XLogP of 16.88, 25 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-2-pyridinyl)-1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]ethanone;bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(5-methyl-2-pyridinyl)ethanone);bis(1-[6-methyl-4-(2-methylpyrimidin-5-yl)oxy-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone) is sourced from PubChem (CID 157137805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).