2-[2-[6-fluoro-3-(2-methyl-6-nitroanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide

C24H22FN5O5 — CID 67352744

About 2-[2-[6-fluoro-3-(2-methyl-6-nitroanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide

2-[2-[6-fluoro-3-(2-methyl-6-nitroanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide (PubChem CID 67352744) has the molecular formula C24H22FN5O5 and a molecular weight of 479.47 g/mol. Its IUPAC name is 2-[2-[6-fluoro-3-(2-methyl-6-nitroanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide.

Molecular Properties

• Compound Name: 2-[2-[6-fluoro-3-(2-methyl-6-nitroanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide
• PubChem CID: 67352744
• Molecular Formula: C24H22FN5O5
• Molecular Weight: 479.47 g/mol
• Exact Mass: 479.16
• IUPAC Name: 2-[2-[6-fluoro-3-(2-methyl-6-nitroanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide
• SMILES: COc1cc(C)c(-c2nc3ccc(F)cn3c2Nc2c(C)cccc2[N+](=O)[O-])c(OCC(N)=O)c1
• InChI: InChI=1S/C24H22FN5O5/c1-13-5-4-6-17(30(32)33)22(13)28-24-23(27-20-8-7-15(25)11-29(20)24)21-14(2)9-16(34-3)10-18(21)35-12-19(26)31/h4-11,28H,12H2,1-3H3,(H2,26,31)
• InChIKey: GHFFJHWSQZYFFV-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 134.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.47
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6-fluoro-3-(2-methyl-6-nitroanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide?

The IUPAC name of 2-[2-[6-fluoro-3-(2-methyl-6-nitroanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide (CID 67352744) is 2-[2-[6-fluoro-3-(2-methyl-6-nitroanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide.

What is the SMILES notation for 2-[2-[6-fluoro-3-(2-methyl-6-nitroanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide?

The canonical SMILES for 2-[2-[6-fluoro-3-(2-methyl-6-nitroanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide is COc1cc(C)c(-c2nc3ccc(F)cn3c2Nc2c(C)cccc2[N+](=O)[O-])c(OCC(N)=O)c1.

What is the InChIKey of 2-[2-[6-fluoro-3-(2-methyl-6-nitroanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide?

The InChIKey is GHFFJHWSQZYFFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O5/c1-13-5-4-6-17(30(32)33)22(13)28-24-23(27-20-8-7-15(25)11-29(20)24)21-14(2)9-16(34-3)10-18(21)35-12-19(26)31/h4-11,28H,12H2,1-3H3,(H2,26,31).

What are the key properties of 2-[2-[6-fluoro-3-(2-methyl-6-nitroanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide?

2-[2-[6-fluoro-3-(2-methyl-6-nitroanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide has a molecular weight of 479.47 g/mol, XLogP of 4.28, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[6-fluoro-3-(2-methyl-6-nitroanilino)imidazo[1,2-a]pyridin-2-yl]-5-methoxy-3-methylphenoxy]acetamide is sourced from PubChem (CID 67352744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).