ethane;methyl N-[3-[2-(4-butanoyl-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-oxopropyl]-N-(2,2-dimethoxyethyl)carbamate

C30H40FN3O6 — CID 177064251

About ethane;methyl N-[3-[2-(4-butanoyl-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-oxopropyl]-N-(2,2-dimethoxyethyl)carbamate

ethane;methyl N-[3-[2-(4-butanoyl-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-oxopropyl]-N-(2,2-dimethoxyethyl)carbamate (PubChem CID 177064251) has the molecular formula C30H40FN3O6 and a molecular weight of 557.66 g/mol. Its IUPAC name is ethane;methyl N-[3-[2-(4-butanoyl-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-oxopropyl]-N-(2,2-dimethoxyethyl)carbamate.

Molecular Properties

• Compound Name: ethane;methyl N-[3-[2-(4-butanoyl-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-oxopropyl]-N-(2,2-dimethoxyethyl)carbamate
• PubChem CID: 177064251
• Molecular Formula: C30H40FN3O6
• Molecular Weight: 557.66 g/mol
• Exact Mass: 557.29
• IUPAC Name: ethane;methyl N-[3-[2-(4-butanoyl-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-oxopropyl]-N-(2,2-dimethoxyethyl)carbamate
• SMILES: CC.CCCC(=O)c1cc(C)c(-c2nc3cc(C)ccn3c2CC(=O)CN(CC(OC)OC)C(=O)OC)c(F)c1
• InChI: InChI=1S/C28H34FN3O6.C2H6/c1-7-8-23(34)19-12-18(3)26(21(29)13-19)27-22(32-10-9-17(2)11-24(32)30-27)14-20(33)15-31(28(35)38-6)16-25(36-4)37-5;1-2/h9-13,25H,7-8,14-16H2,1-6H3;1-2H3
• InChIKey: UGZPXNOEAJUZSO-UHFFFAOYSA-N
• XLogP: 5.57
• TPSA: 99.44 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	557.66
LogP ≤ 5	5.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethane;methyl N-[3-[2-(4-butanoyl-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-oxopropyl]-N-(2,2-dimethoxyethyl)carbamate?

The IUPAC name of ethane;methyl N-[3-[2-(4-butanoyl-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-oxopropyl]-N-(2,2-dimethoxyethyl)carbamate (CID 177064251) is ethane;methyl N-[3-[2-(4-butanoyl-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-oxopropyl]-N-(2,2-dimethoxyethyl)carbamate.

What is the SMILES notation for ethane;methyl N-[3-[2-(4-butanoyl-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-oxopropyl]-N-(2,2-dimethoxyethyl)carbamate?

The canonical SMILES for ethane;methyl N-[3-[2-(4-butanoyl-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-oxopropyl]-N-(2,2-dimethoxyethyl)carbamate is CC.CCCC(=O)c1cc(C)c(-c2nc3cc(C)ccn3c2CC(=O)CN(CC(OC)OC)C(=O)OC)c(F)c1.

What is the InChIKey of ethane;methyl N-[3-[2-(4-butanoyl-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-oxopropyl]-N-(2,2-dimethoxyethyl)carbamate?

The InChIKey is UGZPXNOEAJUZSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34FN3O6.C2H6/c1-7-8-23(34)19-12-18(3)26(21(29)13-19)27-22(32-10-9-17(2)11-24(32)30-27)14-20(33)15-31(28(35)38-6)16-25(36-4)37-5;1-2/h9-13,25H,7-8,14-16H2,1-6H3;1-2H3.

What are the key properties of ethane;methyl N-[3-[2-(4-butanoyl-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-oxopropyl]-N-(2,2-dimethoxyethyl)carbamate?

ethane;methyl N-[3-[2-(4-butanoyl-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-oxopropyl]-N-(2,2-dimethoxyethyl)carbamate has a molecular weight of 557.66 g/mol, XLogP of 5.57, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;methyl N-[3-[2-(4-butanoyl-2-fluoro-6-methylphenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-2-oxopropyl]-N-(2,2-dimethoxyethyl)carbamate is sourced from PubChem (CID 177064251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).