6-[1-(3-fluoro-4-pyridinyl)-2-methylimidazol-4-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-methyl-1-(2-methyl-4-pyridinyl)imidazol-4-yl]indol-2-one;1,3,3-trimethyl-6-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]indol-2-one

C61H61FN12O3 — CID 118526079

About 6-[1-(3-fluoro-4-pyridinyl)-2-methylimidazol-4-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-methyl-1-(2-methyl-4-pyridinyl)imidazol-4-yl]indol-2-one;1,3,3-trimethyl-6-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]indol-2-one

6-[1-(3-fluoro-4-pyridinyl)-2-methylimidazol-4-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-methyl-1-(2-methyl-4-pyridinyl)imidazol-4-yl]indol-2-one;1,3,3-trimethyl-6-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]indol-2-one (PubChem CID 118526079) has the molecular formula C61H61FN12O3 and a molecular weight of 1029.24 g/mol. Its IUPAC name is 6-[1-(3-fluoro-4-pyridinyl)-2-methylimidazol-4-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-methyl-1-(2-methyl-4-pyridinyl)imidazol-4-yl]indol-2-one;1,3,3-trimethyl-6-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]indol-2-one.

Molecular Properties

• Compound Name: 6-[1-(3-fluoro-4-pyridinyl)-2-methylimidazol-4-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-methyl-1-(2-methyl-4-pyridinyl)imidazol-4-yl]indol-2-one;1,3,3-trimethyl-6-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]indol-2-one
• PubChem CID: 118526079
• Molecular Formula: C61H61FN12O3
• Molecular Weight: 1029.24 g/mol
• Exact Mass: 1028.50
• IUPAC Name: 6-[1-(3-fluoro-4-pyridinyl)-2-methylimidazol-4-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-methyl-1-(2-methyl-4-pyridinyl)imidazol-4-yl]indol-2-one;1,3,3-trimethyl-6-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]indol-2-one
• SMILES: Cc1cc(-n2cc(-c3ccc4c(c3)N(C)C(=O)C4(C)C)nc2C)ccn1.Cc1ccc(-c2cc(-c3ccc4c(c3)N(C)C(=O)C4(C)C)[nH]n2)cn1.Cc1nc(-c2ccc3c(c2)N(C)C(=O)C3(C)C)cn1-c1ccncc1F
• InChI: InChI=1S/C21H22N4O.C20H19FN4O.C20H20N4O/c1-13-10-16(8-9-22-13)25-12-18(23-14(25)2)15-6-7-17-19(11-15)24(5)20(26)21(17,3)4;1-12-23-16(11-25(12)17-7-8-22-10-15(17)21)13-5-6-14-18(9-13)24(4)19(26)20(14,2)3;1-12-5-6-14(11-21-12)17-10-16(22-23-17)13-7-8-15-18(9-13)24(4)19(25)20(15,2)3/h6-12H,1-5H3;5-11H,1-4H3;5-11H,1-4H3,(H,22,23)
• InChIKey: YHPUNXDLYSYPHN-UHFFFAOYSA-N
• XLogP: 11.14
• TPSA: 163.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1029.24
LogP ≤ 5	11.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of 6-[1-(3-fluoro-4-pyridinyl)-2-methylimidazol-4-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-methyl-1-(2-methyl-4-pyridinyl)imidazol-4-yl]indol-2-one;1,3,3-trimethyl-6-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]indol-2-one (CID 118526079) is 6-[1-(3-fluoro-4-pyridinyl)-2-methylimidazol-4-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-methyl-1-(2-methyl-4-pyridinyl)imidazol-4-yl]indol-2-one;1,3,3-trimethyl-6-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]indol-2-one.

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

The canonical SMILES for 6-[1-(3-fluoro-4-pyridinyl)-2-methylimidazol-4-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-methyl-1-(2-methyl-4-pyridinyl)imidazol-4-yl]indol-2-one;1,3,3-trimethyl-6-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]indol-2-one is Cc1cc(-n2cc(-c3ccc4c(c3)N(C)C(=O)C4(C)C)nc2C)ccn1.Cc1ccc(-c2cc(-c3ccc4c(c3)N(C)C(=O)C4(C)C)[nH]n2)cn1.Cc1nc(-c2ccc3c(c2)N(C)C(=O)C3(C)C)cn1-c1ccncc1F.

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

The InChIKey is YHPUNXDLYSYPHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O.C20H19FN4O.C20H20N4O/c1-13-10-16(8-9-22-13)25-12-18(23-14(25)2)15-6-7-17-19(11-15)24(5)20(26)21(17,3)4;1-12-23-16(11-25(12)17-7-8-22-10-15(17)21)13-5-6-14-18(9-13)24(4)19(26)20(14,2)3;1-12-5-6-14(11-21-12)17-10-16(22-23-17)13-7-8-15-18(9-13)24(4)19(25)20(15,2)3/h6-12H,1-5H3;5-11H,1-4H3;5-11H,1-4H3,(H,22,23).

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

6-[1-(3-fluoro-4-pyridinyl)-2-methylimidazol-4-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-methyl-1-(2-methyl-4-pyridinyl)imidazol-4-yl]indol-2-one;1,3,3-trimethyl-6-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]indol-2-one has a molecular weight of 1029.24 g/mol, XLogP of 11.14, 6 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[1-(3-fluoro-4-pyridinyl)-2-methylimidazol-4-yl]-1,3,3-trimethylindol-2-one;1,3,3-trimethyl-6-[2-methyl-1-(2-methyl-4-pyridinyl)imidazol-4-yl]indol-2-one;1,3,3-trimethyl-6-[3-(6-methyl-3-pyridinyl)-1H-pyrazol-5-yl]indol-2-one is sourced from PubChem (CID 118526079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).