N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetyl]amino]benzamide

C27H34N4O7 — CID 58408594

About N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetyl]amino]benzamide

N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetyl]amino]benzamide (PubChem CID 58408594) has the molecular formula C27H34N4O7 and a molecular weight of 526.59 g/mol. Its IUPAC name is N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetyl]amino]benzamide.

Molecular Properties

• Compound Name: N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetyl]amino]benzamide
• PubChem CID: 58408594
• Molecular Formula: C27H34N4O7
• Molecular Weight: 526.59 g/mol
• Exact Mass: 526.24
• IUPAC Name: N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetyl]amino]benzamide
• SMILES: CC(C)(C)C(=O)c1cn2cc(NC(=O)c3ccc(NC(=O)COCCOCCOCCO)cc3)ccc2n1
• InChI: InChI=1S/C27H34N4O7/c1-27(2,3)25(34)22-17-31-16-21(8-9-23(31)30-22)29-26(35)19-4-6-20(7-5-19)28-24(33)18-38-15-14-37-13-12-36-11-10-32/h4-9,16-17,32H,10-15,18H2,1-3H3,(H,28,33)(H,29,35)
• InChIKey: TUBAJXXCMUNTOF-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 140.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.59
LogP ≤ 5	2.80
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetyl]amino]benzamide?

The IUPAC name of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetyl]amino]benzamide (CID 58408594) is N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetyl]amino]benzamide.

What is the SMILES notation for N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetyl]amino]benzamide?

The canonical SMILES for N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetyl]amino]benzamide is CC(C)(C)C(=O)c1cn2cc(NC(=O)c3ccc(NC(=O)COCCOCCOCCO)cc3)ccc2n1.

What is the InChIKey of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetyl]amino]benzamide?

The InChIKey is TUBAJXXCMUNTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N4O7/c1-27(2,3)25(34)22-17-31-16-21(8-9-23(31)30-22)29-26(35)19-4-6-20(7-5-19)28-24(33)18-38-15-14-37-13-12-36-11-10-32/h4-9,16-17,32H,10-15,18H2,1-3H3,(H,28,33)(H,29,35).

What are the key properties of N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetyl]amino]benzamide?

N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetyl]amino]benzamide has a molecular weight of 526.59 g/mol, XLogP of 2.80, 14 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]acetyl]amino]benzamide is sourced from PubChem (CID 58408594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).