5-[2-(4-fluorophenyl)-3-formylimidazo[1,2-a]pyridin-6-yl]-N-(2-methylpropyl)-2-phenylbenzamide

C31H26FN3O2 — CID 89091909

IUPAC5-[2-(4-fluorophenyl)-3-formylimidazo[1,2-a]pyridin-6-yl]-N-(2-methylpropyl)-2-phenylbenzamide
SMILESCC(C)CNC(=O)c1cc(-c2ccc3nc(-c4ccc(F)cc4)c(C=O)n3c2)ccc1-c1ccccc1
InChIInChI=1S/C31H26FN3O2/c1-20(2)17-33-31(37)27-16-23(10-14-26(27)21-6-4-3-5-7-21)24-11-15-29-34-30(28(19-36)35(29)18-24)22-8-12-25(32)13-9-22/h3-16,18-20H,17H2,1-2H3,(H,33,37)
InChIKeyQNQXTUICGPRBIE-UHFFFAOYSA-N
MW491.57 g/mol
LogP6.67
Rot. Bonds7

About 5-[2-(4-fluorophenyl)-3-formylimidazo[1,2-a]pyridin-6-yl]-N-(2-methylpropyl)-2-phenylbenzamide

5-[2-(4-fluorophenyl)-3-formylimidazo[1,2-a]pyridin-6-yl]-N-(2-methylpropyl)-2-phenylbenzamide (PubChem CID 89091909) has the molecular formula C31H26FN3O2 and a molecular weight of 491.57 g/mol. Its IUPAC name is 5-[2-(4-fluorophenyl)-3-formylimidazo[1,2-a]pyridin-6-yl]-N-(2-methylpropyl)-2-phenylbenzamide.

Molecular Properties

Compound Name5-[2-(4-fluorophenyl)-3-formylimidazo[1,2-a]pyridin-6-yl]-N-(2-methylpropyl)-2-phenylbenzamide
PubChem CID89091909
Molecular FormulaC31H26FN3O2
Molecular Weight491.57 g/mol
Exact Mass491.20
IUPAC Name5-[2-(4-fluorophenyl)-3-formylimidazo[1,2-a]pyridin-6-yl]-N-(2-methylpropyl)-2-phenylbenzamide
SMILESCC(C)CNC(=O)c1cc(-c2ccc3nc(-c4ccc(F)cc4)c(C=O)n3c2)ccc1-c1ccccc1
InChIInChI=1S/C31H26FN3O2/c1-20(2)17-33-31(37)27-16-23(10-14-26(27)21-6-4-3-5-7-21)24-11-15-29-34-30(28(19-36)35(29)18-24)22-8-12-25(32)13-9-22/h3-16,18-20H,17H2,1-2H3,(H,33,37)
InChIKeyQNQXTUICGPRBIE-UHFFFAOYSA-N
XLogP6.67
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.57
LogP ≤ 56.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluorophenyl)-3-formylimidazo[1,2-a]pyridin-6-yl]-N-(2-methylpropyl)-2-phenylbenzamide?
The IUPAC name of 5-[2-(4-fluorophenyl)-3-formylimidazo[1,2-a]pyridin-6-yl]-N-(2-methylpropyl)-2-phenylbenzamide (CID 89091909) is 5-[2-(4-fluorophenyl)-3-formylimidazo[1,2-a]pyridin-6-yl]-N-(2-methylpropyl)-2-phenylbenzamide.
What is the SMILES notation for 5-[2-(4-fluorophenyl)-3-formylimidazo[1,2-a]pyridin-6-yl]-N-(2-methylpropyl)-2-phenylbenzamide?
The canonical SMILES for 5-[2-(4-fluorophenyl)-3-formylimidazo[1,2-a]pyridin-6-yl]-N-(2-methylpropyl)-2-phenylbenzamide is CC(C)CNC(=O)c1cc(-c2ccc3nc(-c4ccc(F)cc4)c(C=O)n3c2)ccc1-c1ccccc1.
What is the InChIKey of 5-[2-(4-fluorophenyl)-3-formylimidazo[1,2-a]pyridin-6-yl]-N-(2-methylpropyl)-2-phenylbenzamide?
The InChIKey is QNQXTUICGPRBIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN3O2/c1-20(2)17-33-31(37)27-16-23(10-14-26(27)21-6-4-3-5-7-21)24-11-15-29-34-30(28(19-36)35(29)18-24)22-8-12-25(32)13-9-22/h3-16,18-20H,17H2,1-2H3,(H,33,37).
What are the key properties of 5-[2-(4-fluorophenyl)-3-formylimidazo[1,2-a]pyridin-6-yl]-N-(2-methylpropyl)-2-phenylbenzamide?
5-[2-(4-fluorophenyl)-3-formylimidazo[1,2-a]pyridin-6-yl]-N-(2-methylpropyl)-2-phenylbenzamide has a molecular weight of 491.57 g/mol, XLogP of 6.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluorophenyl)-3-formylimidazo[1,2-a]pyridin-6-yl]-N-(2-methylpropyl)-2-phenylbenzamide is sourced from PubChem (CID 89091909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).