1-[4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]ethanone

C26H26N4O — CID 5329347

IUPAC1-[4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2)CC1
InChIInChI=1S/C26H26N4O/c1-20(31)29-15-13-28(14-16-29)19-21-7-9-22(10-8-21)24-11-12-30-25(18-27-26(30)17-24)23-5-3-2-4-6-23/h2-12,17-18H,13-16,19H2,1H3
InChIKeyPZCCLKSEMKLKJW-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.33
Rot. Bonds4

About 1-[4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]ethanone

1-[4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]ethanone (PubChem CID 5329347) has the molecular formula C26H26N4O and a molecular weight of 410.52 g/mol. Its IUPAC name is 1-[4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]ethanone
PubChem CID5329347
Molecular FormulaC26H26N4O
Molecular Weight410.52 g/mol
Exact Mass410.21
IUPAC Name1-[4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2)CC1
InChIInChI=1S/C26H26N4O/c1-20(31)29-15-13-28(14-16-29)19-21-7-9-22(10-8-21)24-11-12-30-25(18-27-26(30)17-24)23-5-3-2-4-6-23/h2-12,17-18H,13-16,19H2,1H3
InChIKeyPZCCLKSEMKLKJW-UHFFFAOYSA-N
XLogP4.33
TPSA40.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]ethanone (CID 5329347) is 1-[4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2ccc(-c3ccn4c(-c5ccccc5)cnc4c3)cc2)CC1.
What is the InChIKey of 1-[4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]ethanone?
The InChIKey is PZCCLKSEMKLKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O/c1-20(31)29-15-13-28(14-16-29)19-21-7-9-22(10-8-21)24-11-12-30-25(18-27-26(30)17-24)23-5-3-2-4-6-23/h2-12,17-18H,13-16,19H2,1H3.
What are the key properties of 1-[4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]ethanone?
1-[4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]ethanone has a molecular weight of 410.52 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(3-phenylimidazo[1,2-a]pyridin-7-yl)phenyl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 5329347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).