6-[5-(5-fluoro-2-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-(6-methyl-3-pyridinyl)pyrimidin-5-yl]indol-2-one

C40H37FN8O3 — CID 118526031

About 6-[5-(5-fluoro-2-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-(6-methyl-3-pyridinyl)pyrimidin-5-yl]indol-2-one

6-[5-(5-fluoro-2-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-(6-methyl-3-pyridinyl)pyrimidin-5-yl]indol-2-one (PubChem CID 118526031) has the molecular formula C40H37FN8O3 and a molecular weight of 696.79 g/mol. Its IUPAC name is 6-[5-(5-fluoro-2-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-(6-methyl-3-pyridinyl)pyrimidin-5-yl]indol-2-one.

Molecular Properties

• Compound Name: 6-[5-(5-fluoro-2-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-(6-methyl-3-pyridinyl)pyrimidin-5-yl]indol-2-one
• PubChem CID: 118526031
• Molecular Formula: C40H37FN8O3
• Molecular Weight: 696.79 g/mol
• Exact Mass: 696.30
• IUPAC Name: 6-[5-(5-fluoro-2-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-(6-methyl-3-pyridinyl)pyrimidin-5-yl]indol-2-one
• SMILES: Cc1cc(-c2nnc(-c3ccc4c(c3)N(C)C(=O)C4(C)C)o2)c(F)cn1.Cc1ccc(-c2ncc(-c3ccc4c(c3)N(C)C(=O)C4(C)C)cn2)cn1
• InChI: InChI=1S/C21H20N4O.C19H17FN4O2/c1-13-5-6-15(10-22-13)19-23-11-16(12-24-19)14-7-8-17-18(9-14)25(4)20(26)21(17,2)3;1-10-7-12(14(20)9-21-10)17-23-22-16(26-17)11-5-6-13-15(8-11)24(4)18(25)19(13,2)3/h5-12H,1-4H3;5-9H,1-4H3
• InChIKey: AWJVVYWRWLNHFZ-UHFFFAOYSA-N
• XLogP: 7.27
• TPSA: 131.10 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	696.79
LogP ≤ 5	7.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-fluoro-2-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-(6-methyl-3-pyridinyl)pyrimidin-5-yl]indol-2-one?

The IUPAC name of 6-[5-(5-fluoro-2-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-(6-methyl-3-pyridinyl)pyrimidin-5-yl]indol-2-one (CID 118526031) is 6-[5-(5-fluoro-2-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-(6-methyl-3-pyridinyl)pyrimidin-5-yl]indol-2-one.

What is the SMILES notation for 6-[5-(5-fluoro-2-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-(6-methyl-3-pyridinyl)pyrimidin-5-yl]indol-2-one?

The canonical SMILES for 6-[5-(5-fluoro-2-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-(6-methyl-3-pyridinyl)pyrimidin-5-yl]indol-2-one is Cc1cc(-c2nnc(-c3ccc4c(c3)N(C)C(=O)C4(C)C)o2)c(F)cn1.Cc1ccc(-c2ncc(-c3ccc4c(c3)N(C)C(=O)C4(C)C)cn2)cn1.

What is the InChIKey of 6-[5-(5-fluoro-2-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-(6-methyl-3-pyridinyl)pyrimidin-5-yl]indol-2-one?

The InChIKey is AWJVVYWRWLNHFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O.C19H17FN4O2/c1-13-5-6-15(10-22-13)19-23-11-16(12-24-19)14-7-8-17-18(9-14)25(4)20(26)21(17,2)3;1-10-7-12(14(20)9-21-10)17-23-22-16(26-17)11-5-6-13-15(8-11)24(4)18(25)19(13,2)3/h5-12H,1-4H3;5-9H,1-4H3.

What are the key properties of 6-[5-(5-fluoro-2-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-(6-methyl-3-pyridinyl)pyrimidin-5-yl]indol-2-one?

6-[5-(5-fluoro-2-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-(6-methyl-3-pyridinyl)pyrimidin-5-yl]indol-2-one has a molecular weight of 696.79 g/mol, XLogP of 7.27, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[5-(5-fluoro-2-methyl-4-pyridinyl)-1,3,4-oxadiazol-2-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-(6-methyl-3-pyridinyl)pyrimidin-5-yl]indol-2-one is sourced from PubChem (CID 118526031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).