3,4,5-triethoxy-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide

C26H26FN3O4 — CID 5224630

IUPAC3,4,5-triethoxy-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCCOc1cc(C(=O)Nc2c(-c3ccc(F)cc3)nc3ccccn23)cc(OCC)c1OCC
InChIInChI=1S/C26H26FN3O4/c1-4-32-20-15-18(16-21(33-5-2)24(20)34-6-3)26(31)29-25-23(17-10-12-19(27)13-11-17)28-22-9-7-8-14-30(22)25/h7-16H,4-6H2,1-3H3,(H,29,31)
InChIKeyAEWIWCJWAGXGKR-UHFFFAOYSA-N
MW463.51 g/mol
LogP5.59
Rot. Bonds9

About 3,4,5-triethoxy-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide

3,4,5-triethoxy-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 5224630) has the molecular formula C26H26FN3O4 and a molecular weight of 463.51 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID5224630
Molecular FormulaC26H26FN3O4
Molecular Weight463.51 g/mol
Exact Mass463.19
IUPAC Name3,4,5-triethoxy-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCCOc1cc(C(=O)Nc2c(-c3ccc(F)cc3)nc3ccccn23)cc(OCC)c1OCC
InChIInChI=1S/C26H26FN3O4/c1-4-32-20-15-18(16-21(33-5-2)24(20)34-6-3)26(31)29-25-23(17-10-12-19(27)13-11-17)28-22-9-7-8-14-30(22)25/h7-16H,4-6H2,1-3H3,(H,29,31)
InChIKeyAEWIWCJWAGXGKR-UHFFFAOYSA-N
XLogP5.59
TPSA74.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.51
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 5224630) is 3,4,5-triethoxy-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide is CCOc1cc(C(=O)Nc2c(-c3ccc(F)cc3)nc3ccccn23)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is AEWIWCJWAGXGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3O4/c1-4-32-20-15-18(16-21(33-5-2)24(20)34-6-3)26(31)29-25-23(17-10-12-19(27)13-11-17)28-22-9-7-8-14-30(22)25/h7-16H,4-6H2,1-3H3,(H,29,31).
What are the key properties of 3,4,5-triethoxy-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide?
3,4,5-triethoxy-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 463.51 g/mol, XLogP of 5.59, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 5224630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).