ethyl 5-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazo[1,2-a]pyridine-2-carboxylate

C22H31N3O6 — CID 142434393

About ethyl 5-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazo[1,2-a]pyridine-2-carboxylate

ethyl 5-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazo[1,2-a]pyridine-2-carboxylate (PubChem CID 142434393) has the molecular formula C22H31N3O6 and a molecular weight of 433.51 g/mol. Its IUPAC name is ethyl 5-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazo[1,2-a]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 5-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazo[1,2-a]pyridine-2-carboxylate
• PubChem CID: 142434393
• Molecular Formula: C22H31N3O6
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.22
• IUPAC Name: ethyl 5-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazo[1,2-a]pyridine-2-carboxylate
• SMILES: CCOC(=O)c1cn2c(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cccc2n1
• InChI: InChI=1S/C22H31N3O6/c1-8-29-18(26)16-13-25-14(10-9-11-17(25)23-16)12-15(19(27)30-21(2,3)4)24-20(28)31-22(5,6)7/h9-11,13,15H,8,12H2,1-7H3,(H,24,28)/t15-/m0/s1
• InChIKey: RFQAEIVPBZHCOA-HNNXBMFYSA-N
• XLogP: 3.29
• TPSA: 108.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazo[1,2-a]pyridine-2-carboxylate?

The IUPAC name of ethyl 5-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazo[1,2-a]pyridine-2-carboxylate (CID 142434393) is ethyl 5-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazo[1,2-a]pyridine-2-carboxylate.

What is the SMILES notation for ethyl 5-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazo[1,2-a]pyridine-2-carboxylate?

The canonical SMILES for ethyl 5-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazo[1,2-a]pyridine-2-carboxylate is CCOC(=O)c1cn2c(C[C@H](NC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cccc2n1.

What is the InChIKey of ethyl 5-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazo[1,2-a]pyridine-2-carboxylate?

The InChIKey is RFQAEIVPBZHCOA-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H31N3O6/c1-8-29-18(26)16-13-25-14(10-9-11-17(25)23-16)12-15(19(27)30-21(2,3)4)24-20(28)31-22(5,6)7/h9-11,13,15H,8,12H2,1-7H3,(H,24,28)/t15-/m0/s1.

What are the key properties of ethyl 5-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazo[1,2-a]pyridine-2-carboxylate?

ethyl 5-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazo[1,2-a]pyridine-2-carboxylate has a molecular weight of 433.51 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 5-[(2S)-3-[(2-methylpropan-2-yl)oxy]-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxopropyl]imidazo[1,2-a]pyridine-2-carboxylate is sourced from PubChem (CID 142434393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).