2-cyclobutyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

C49H44N10O6 — CID 123491909

About 2-cyclobutyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone

2-cyclobutyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (PubChem CID 123491909) has the molecular formula C49H44N10O6 and a molecular weight of 868.96 g/mol. Its IUPAC name is 2-cyclobutyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.

Molecular Properties

• Compound Name: 2-cyclobutyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
• PubChem CID: 123491909
• Molecular Formula: C49H44N10O6
• Molecular Weight: 868.96 g/mol
• Exact Mass: 868.34
• IUPAC Name: 2-cyclobutyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone
• SMILES: Cc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cn1ccc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.O=C(CC1CCC1)c1cc(Oc2cccnc2)ccn1
• InChI: InChI=1S/C17H14N4O2.C16H14N4O2.C16H16N2O2/c1-12-3-2-4-13(21-12)7-17(22)16-8-14(5-6-20-16)23-15-9-18-11-19-10-15;1-20-8-5-12(19-20)9-16(21)15-10-13(4-7-18-15)22-14-3-2-6-17-11-14;19-16(9-12-3-1-4-12)15-10-13(6-8-18-15)20-14-5-2-7-17-11-14/h2-6,8-11H,7H2,1H3;2-8,10-11H,9H2,1H3;2,5-8,10-12H,1,3-4,9H2
• InChIKey: YEDKFVSWFACODZ-UHFFFAOYSA-N
• XLogP: 8.86
• TPSA: 199.84 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	868.96
LogP ≤ 5	8.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?

The IUPAC name of 2-cyclobutyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone (CID 123491909) is 2-cyclobutyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone.

What is the SMILES notation for 2-cyclobutyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?

The canonical SMILES for 2-cyclobutyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is Cc1cccc(CC(=O)c2cc(Oc3cncnc3)ccn2)n1.Cn1ccc(CC(=O)c2cc(Oc3cccnc3)ccn2)n1.O=C(CC1CCC1)c1cc(Oc2cccnc2)ccn1.

What is the InChIKey of 2-cyclobutyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?

The InChIKey is YEDKFVSWFACODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2.C16H14N4O2.C16H16N2O2/c1-12-3-2-4-13(21-12)7-17(22)16-8-14(5-6-20-16)23-15-9-18-11-19-10-15;1-20-8-5-12(19-20)9-16(21)15-10-13(4-7-18-15)22-14-3-2-6-17-11-14;19-16(9-12-3-1-4-12)15-10-13(6-8-18-15)20-14-5-2-7-17-11-14/h2-6,8-11H,7H2,1H3;2-8,10-11H,9H2,1H3;2,5-8,10-12H,1,3-4,9H2.

What are the key properties of 2-cyclobutyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone?

2-cyclobutyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone has a molecular weight of 868.96 g/mol, XLogP of 8.86, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclobutyl-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(1-methylpyrazol-3-yl)-1-(4-pyridin-3-yloxy-2-pyridinyl)ethanone;2-(6-methyl-2-pyridinyl)-1-(4-pyrimidin-5-yloxy-2-pyridinyl)ethanone is sourced from PubChem (CID 123491909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).