1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-pyridin-2-ylethanone

C57H62N6O9S — CID 158318034

About 1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-pyridin-2-ylethanone

1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-pyridin-2-ylethanone (PubChem CID 158318034) has the molecular formula C57H62N6O9S and a molecular weight of 1007.22 g/mol. Its IUPAC name is 1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-pyridin-2-ylethanone.

Molecular Properties

• Compound Name: 1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-pyridin-2-ylethanone
• PubChem CID: 158318034
• Molecular Formula: C57H62N6O9S
• Molecular Weight: 1007.22 g/mol
• Exact Mass: 1006.43
• IUPAC Name: 1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-pyridin-2-ylethanone
• SMILES: Cc1cc(OC2CC3(COC3)C2)cc(C(=O)Cc2ccccn2)n1.Cc1cc(OC2CC3(COC3)C2)cc(C(=O)Cc2nc(C)cs2)n1.Cc1cccc(CC(=O)c2cc(OC3CC4(COC4)C3)cc(C)n2)n1
• InChI: InChI=1S/C20H22N2O3.C19H20N2O3.C18H20N2O3S/c1-13-4-3-5-15(21-13)7-19(23)18-8-16(6-14(2)22-18)25-17-9-20(10-17)11-24-12-20;1-13-6-15(24-16-9-19(10-16)11-23-12-19)8-17(21-13)18(22)7-14-4-2-3-5-20-14;1-11-3-13(23-14-6-18(7-14)9-22-10-18)4-15(19-11)16(21)5-17-20-12(2)8-24-17/h3-6,8,17H,7,9-12H2,1-2H3;2-6,8,16H,7,9-12H2,1H3;3-4,8,14H,5-7,9-10H2,1-2H3
• InChIKey: GOMWCQMVXGKOJZ-UHFFFAOYSA-N
• XLogP: 8.98
• TPSA: 183.93 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 15
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1007.22
LogP ≤ 5	8.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of 1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-pyridin-2-ylethanone?

The IUPAC name of 1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-pyridin-2-ylethanone (CID 158318034) is 1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-pyridin-2-ylethanone.

What is the SMILES notation for 1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-pyridin-2-ylethanone?

The canonical SMILES for 1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-pyridin-2-ylethanone is Cc1cc(OC2CC3(COC3)C2)cc(C(=O)Cc2ccccn2)n1.Cc1cc(OC2CC3(COC3)C2)cc(C(=O)Cc2nc(C)cs2)n1.Cc1cccc(CC(=O)c2cc(OC3CC4(COC4)C3)cc(C)n2)n1.

What is the InChIKey of 1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-pyridin-2-ylethanone?

The InChIKey is GOMWCQMVXGKOJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O3.C19H20N2O3.C18H20N2O3S/c1-13-4-3-5-15(21-13)7-19(23)18-8-16(6-14(2)22-18)25-17-9-20(10-17)11-24-12-20;1-13-6-15(24-16-9-19(10-16)11-23-12-19)8-17(21-13)18(22)7-14-4-2-3-5-20-14;1-11-3-13(23-14-6-18(7-14)9-22-10-18)4-15(19-11)16(21)5-17-20-12(2)8-24-17/h3-6,8,17H,7,9-12H2,1-2H3;2-6,8,16H,7,9-12H2,1H3;3-4,8,14H,5-7,9-10H2,1-2H3.

What are the key properties of 1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-pyridin-2-ylethanone?

1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-pyridin-2-ylethanone has a molecular weight of 1007.22 g/mol, XLogP of 8.98, 15 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(6-methyl-2-pyridinyl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanone;1-[6-methyl-4-(2-oxaspiro[3.3]heptan-6-yloxy)-2-pyridinyl]-2-pyridin-2-ylethanone is sourced from PubChem (CID 158318034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).