2-[3-[2-[[(2S)-2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]imidazo[1,2-a]pyridin-8-yl]oxyacetamide

C26H30N4O4S — CID 10174388

About 2-[3-[2-[[(2S)-2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]imidazo[1,2-a]pyridin-8-yl]oxyacetamide

2-[3-[2-[[(2S)-2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]imidazo[1,2-a]pyridin-8-yl]oxyacetamide (PubChem CID 10174388) has the molecular formula C26H30N4O4S and a molecular weight of 494.62 g/mol. Its IUPAC name is 2-[3-[2-[[(2S)-2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]imidazo[1,2-a]pyridin-8-yl]oxyacetamide.

Molecular Properties

• Compound Name: 2-[3-[2-[[(2S)-2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]imidazo[1,2-a]pyridin-8-yl]oxyacetamide
• PubChem CID: 10174388
• Molecular Formula: C26H30N4O4S
• Molecular Weight: 494.62 g/mol
• Exact Mass: 494.20
• IUPAC Name: 2-[3-[2-[[(2S)-2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]imidazo[1,2-a]pyridin-8-yl]oxyacetamide
• SMILES: CC(C)(Cc1cnc2c(OCC(N)=O)cccn12)NC[C@H](O)COc1ccccc1-c1cccs1
• InChI: InChI=1S/C26H30N4O4S/c1-26(2,13-18-14-28-25-22(34-17-24(27)32)9-5-11-30(18)25)29-15-19(31)16-33-21-8-4-3-7-20(21)23-10-6-12-35-23/h3-12,14,19,29,31H,13,15-17H2,1-2H3,(H2,27,32)/t19-/m0/s1
• InChIKey: UMOBARJGJMADTB-IBGZPJMESA-N
• XLogP: 3.28
• TPSA: 111.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.62
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[[(2S)-2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]imidazo[1,2-a]pyridin-8-yl]oxyacetamide?

The IUPAC name of 2-[3-[2-[[(2S)-2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]imidazo[1,2-a]pyridin-8-yl]oxyacetamide (CID 10174388) is 2-[3-[2-[[(2S)-2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]imidazo[1,2-a]pyridin-8-yl]oxyacetamide.

What is the SMILES notation for 2-[3-[2-[[(2S)-2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]imidazo[1,2-a]pyridin-8-yl]oxyacetamide?

The canonical SMILES for 2-[3-[2-[[(2S)-2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]imidazo[1,2-a]pyridin-8-yl]oxyacetamide is CC(C)(Cc1cnc2c(OCC(N)=O)cccn12)NC[C@H](O)COc1ccccc1-c1cccs1.

What is the InChIKey of 2-[3-[2-[[(2S)-2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]imidazo[1,2-a]pyridin-8-yl]oxyacetamide?

The InChIKey is UMOBARJGJMADTB-IBGZPJMESA-N. The full InChI is InChI=1S/C26H30N4O4S/c1-26(2,13-18-14-28-25-22(34-17-24(27)32)9-5-11-30(18)25)29-15-19(31)16-33-21-8-4-3-7-20(21)23-10-6-12-35-23/h3-12,14,19,29,31H,13,15-17H2,1-2H3,(H2,27,32)/t19-/m0/s1.

What are the key properties of 2-[3-[2-[[(2S)-2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]imidazo[1,2-a]pyridin-8-yl]oxyacetamide?

2-[3-[2-[[(2S)-2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]imidazo[1,2-a]pyridin-8-yl]oxyacetamide has a molecular weight of 494.62 g/mol, XLogP of 3.28, 12 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-[[(2S)-2-hydroxy-3-(2-thiophen-2-ylphenoxy)propyl]amino]-2-methylpropyl]imidazo[1,2-a]pyridin-8-yl]oxyacetamide is sourced from PubChem (CID 10174388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).