acetic acid;N-acetyl-N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone

C56H52F3N9O8 — CID 164967361

About acetic acid;N-acetyl-N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone

acetic acid;N-acetyl-N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone (PubChem CID 164967361) has the molecular formula C56H52F3N9O8 and a molecular weight of 1036.08 g/mol. Its IUPAC name is acetic acid;N-acetyl-N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone.

Molecular Properties

• Compound Name: acetic acid;N-acetyl-N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone
• PubChem CID: 164967361
• Molecular Formula: C56H52F3N9O8
• Molecular Weight: 1036.08 g/mol
• Exact Mass: 1035.39
• IUPAC Name: acetic acid;N-acetyl-N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone
• SMILES: CC(=O)Nc1nc2ccc(-c3cccc(F)c3C)cn2c1C(C)=O.CC(=O)O.CC(=O)c1c(N(C(C)=O)C(C)=O)nc2ccc(-c3cccc(F)c3C)cn12.CC(=O)c1c(N)nc2ccc(-c3cccc(F)c3C)cn12
• InChI: InChI=1S/C20H18FN3O3.C18H16FN3O2.C16H14FN3O.C2H4O2/c1-11-16(6-5-7-17(11)21)15-8-9-18-22-20(24(13(3)26)14(4)27)19(12(2)25)23(18)10-15;1-10-14(5-4-6-15(10)19)13-7-8-16-21-18(20-12(3)24)17(11(2)23)22(16)9-13;1-9-12(4-3-5-13(9)17)11-6-7-14-19-16(18)15(10(2)21)20(14)8-11;1-2(3)4/h5-10H,1-4H3;4-9H,1-3H3,(H,20,24);3-8H,18H2,1-2H3;1H3,(H,3,4)
• InChIKey: KDHVIGVDEKGFPO-UHFFFAOYSA-N
• XLogP: 10.49
• TPSA: 232.91 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1036.08
LogP ≤ 5	10.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of acetic acid;N-acetyl-N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone?

The IUPAC name of acetic acid;N-acetyl-N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone (CID 164967361) is acetic acid;N-acetyl-N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone.

What is the SMILES notation for acetic acid;N-acetyl-N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone?

The canonical SMILES for acetic acid;N-acetyl-N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone is CC(=O)Nc1nc2ccc(-c3cccc(F)c3C)cn2c1C(C)=O.CC(=O)O.CC(=O)c1c(N(C(C)=O)C(C)=O)nc2ccc(-c3cccc(F)c3C)cn12.CC(=O)c1c(N)nc2ccc(-c3cccc(F)c3C)cn12.

What is the InChIKey of acetic acid;N-acetyl-N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone?

The InChIKey is KDHVIGVDEKGFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3.C18H16FN3O2.C16H14FN3O.C2H4O2/c1-11-16(6-5-7-17(11)21)15-8-9-18-22-20(24(13(3)26)14(4)27)19(12(2)25)23(18)10-15;1-10-14(5-4-6-15(10)19)13-7-8-16-21-18(20-12(3)24)17(11(2)23)22(16)9-13;1-9-12(4-3-5-13(9)17)11-6-7-14-19-16(18)15(10(2)21)20(14)8-11;1-2(3)4/h5-10H,1-4H3;4-9H,1-3H3,(H,20,24);3-8H,18H2,1-2H3;1H3,(H,3,4).

What are the key properties of acetic acid;N-acetyl-N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone?

acetic acid;N-acetyl-N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone has a molecular weight of 1036.08 g/mol, XLogP of 10.49, 8 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for acetic acid;N-acetyl-N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;N-[3-acetyl-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-2-yl]acetamide;1-[2-amino-6-(3-fluoro-2-methylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanone is sourced from PubChem (CID 164967361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).