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

C27H35N3O7 — CID 58408892

IUPACN-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
SMILESCC(C)(C)C(=O)c1cn2cc(NC(=O)c3ccc(OCCOCCOCCOCCO)cc3)ccc2n1
InChIInChI=1S/C27H35N3O7/c1-27(2,3)25(32)23-19-30-18-21(6-9-24(30)29-23)28-26(33)20-4-7-22(8-5-20)37-17-16-36-15-14-35-13-12-34-11-10-31/h4-9,18-19,31H,10-17H2,1-3H3,(H,28,33)
InChIKeyNYFLCUGVKKXLAU-UHFFFAOYSA-N
MW513.59 g/mol
LogP3.24
Rot. Bonds15

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

N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide (PubChem CID 58408892) has the molecular formula C27H35N3O7 and a molecular weight of 513.59 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]ethoxy]benzamide.

Molecular Properties

Compound NameN-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
PubChem CID58408892
Molecular FormulaC27H35N3O7
Molecular Weight513.59 g/mol
Exact Mass513.25
IUPAC NameN-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide
SMILESCC(C)(C)C(=O)c1cn2cc(NC(=O)c3ccc(OCCOCCOCCOCCO)cc3)ccc2n1
InChIInChI=1S/C27H35N3O7/c1-27(2,3)25(32)23-19-30-18-21(6-9-24(30)29-23)28-26(33)20-4-7-22(8-5-20)37-17-16-36-15-14-35-13-12-34-11-10-31/h4-9,18-19,31H,10-17H2,1-3H3,(H,28,33)
InChIKeyNYFLCUGVKKXLAU-UHFFFAOYSA-N
XLogP3.24
TPSA120.62 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500513.59
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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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]ethoxy]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]ethoxy]benzamide (CID 58408892) is N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]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]ethoxy]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]ethoxy]benzamide is CC(C)(C)C(=O)c1cn2cc(NC(=O)c3ccc(OCCOCCOCCOCCO)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]ethoxy]benzamide?
The InChIKey is NYFLCUGVKKXLAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35N3O7/c1-27(2,3)25(32)23-19-30-18-21(6-9-24(30)29-23)28-26(33)20-4-7-22(8-5-20)37-17-16-36-15-14-35-13-12-34-11-10-31/h4-9,18-19,31H,10-17H2,1-3H3,(H,28,33).
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]ethoxy]benzamide?
N-[2-(2,2-dimethylpropanoyl)imidazo[1,2-a]pyridin-6-yl]-4-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]benzamide has a molecular weight of 513.59 g/mol, XLogP of 3.24, 15 rotatable bonds, 2 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]ethoxy]benzamide is sourced from PubChem (CID 58408892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).