2-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

C26H31N5O3 — CID 55512123

About 2-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone

2-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 55512123) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 2-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

• Compound Name: 2-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
• PubChem CID: 55512123
• Molecular Formula: C26H31N5O3
• Molecular Weight: 461.57 g/mol
• Exact Mass: 461.24
• IUPAC Name: 2-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
• SMILES: Cc1ccc2nc(COc3cccc(C(=O)N4CCN(CC(=O)N5CCCC5)CC4)c3)cn2c1
• InChI: InChI=1S/C26H31N5O3/c1-20-7-8-24-27-22(17-31(24)16-20)19-34-23-6-4-5-21(15-23)26(33)30-13-11-28(12-14-30)18-25(32)29-9-2-3-10-29/h4-8,15-17H,2-3,9-14,18-19H2,1H3
• InChIKey: KRNQABOUHKVOLF-UHFFFAOYSA-N
• XLogP: 2.60
• TPSA: 70.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	461.57
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?

The IUPAC name of 2-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone (CID 55512123) is 2-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone.

What is the SMILES notation for 2-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?

The canonical SMILES for 2-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is Cc1ccc2nc(COc3cccc(C(=O)N4CCN(CC(=O)N5CCCC5)CC4)c3)cn2c1.

What is the InChIKey of 2-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?

The InChIKey is KRNQABOUHKVOLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-20-7-8-24-27-22(17-31(24)16-20)19-34-23-6-4-5-21(15-23)26(33)30-13-11-28(12-14-30)18-25(32)29-9-2-3-10-29/h4-8,15-17H,2-3,9-14,18-19H2,1H3.

What are the key properties of 2-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone?

2-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 461.57 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 55512123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).