1-[4-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazin-1-yl]ethanone

C28H24N4O3 — CID 177376557

IUPAC1-[4-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)CC1
InChIInChI=1S/C28H24N4O3/c1-19(33)30-12-14-31(15-13-30)28(34)21-8-6-20(7-9-21)23-10-11-27-29-17-24(32(27)18-23)26-16-22-4-2-3-5-25(22)35-26/h2-11,16-18H,12-15H2,1H3
InChIKeyMWXOTOIFWCYXRK-UHFFFAOYSA-N
MW464.53 g/mol
LogP4.72
Rot. Bonds3

About 1-[4-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazin-1-yl]ethanone

1-[4-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazin-1-yl]ethanone (PubChem CID 177376557) has the molecular formula C28H24N4O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is 1-[4-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazin-1-yl]ethanone
PubChem CID177376557
Molecular FormulaC28H24N4O3
Molecular Weight464.53 g/mol
Exact Mass464.18
IUPAC Name1-[4-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)CC1
InChIInChI=1S/C28H24N4O3/c1-19(33)30-12-14-31(15-13-30)28(34)21-8-6-20(7-9-21)23-10-11-27-29-17-24(32(27)18-23)26-16-22-4-2-3-5-25(22)35-26/h2-11,16-18H,12-15H2,1H3
InChIKeyMWXOTOIFWCYXRK-UHFFFAOYSA-N
XLogP4.72
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazin-1-yl]ethanone (CID 177376557) is 1-[4-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C(=O)c2ccc(-c3ccc4ncc(-c5cc6ccccc6o5)n4c3)cc2)CC1.
What is the InChIKey of 1-[4-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazin-1-yl]ethanone?
The InChIKey is MWXOTOIFWCYXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O3/c1-19(33)30-12-14-31(15-13-30)28(34)21-8-6-20(7-9-21)23-10-11-27-29-17-24(32(27)18-23)26-16-22-4-2-3-5-25(22)35-26/h2-11,16-18H,12-15H2,1H3.
What are the key properties of 1-[4-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazin-1-yl]ethanone?
1-[4-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazin-1-yl]ethanone has a molecular weight of 464.53 g/mol, XLogP of 4.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-[3-(1-benzofuran-2-yl)imidazo[1,2-a]pyridin-6-yl]benzoyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 177376557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).