methyl 4-[[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]methyl]benzoate

C25H30N4O4 — CID 90090296

About methyl 4-[[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]methyl]benzoate

methyl 4-[[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]methyl]benzoate (PubChem CID 90090296) has the molecular formula C25H30N4O4 and a molecular weight of 450.54 g/mol. Its IUPAC name is methyl 4-[[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]methyl]benzoate.

Molecular Properties

• Compound Name: methyl 4-[[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]methyl]benzoate
• PubChem CID: 90090296
• Molecular Formula: C25H30N4O4
• Molecular Weight: 450.54 g/mol
• Exact Mass: 450.23
• IUPAC Name: methyl 4-[[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]methyl]benzoate
• SMILES: CCOc1cccn2c(C(=O)N[C@H]3CCCN(Cc4ccc(C(=O)OC)cc4)C3)c(C)nc12
• InChI: InChI=1S/C25H30N4O4/c1-4-33-21-8-6-14-29-22(17(2)26-23(21)29)24(30)27-20-7-5-13-28(16-20)15-18-9-11-19(12-10-18)25(31)32-3/h6,8-12,14,20H,4-5,7,13,15-16H2,1-3H3,(H,27,30)/t20-/m0/s1
• InChIKey: GXQUGTPKZVTXHY-FQEVSTJZSA-N
• XLogP: 3.22
• TPSA: 85.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	450.54
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]methyl]benzoate?

The IUPAC name of methyl 4-[[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]methyl]benzoate (CID 90090296) is methyl 4-[[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]methyl]benzoate.

What is the SMILES notation for methyl 4-[[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]methyl]benzoate?

The canonical SMILES for methyl 4-[[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]methyl]benzoate is CCOc1cccn2c(C(=O)N[C@H]3CCCN(Cc4ccc(C(=O)OC)cc4)C3)c(C)nc12.

What is the InChIKey of methyl 4-[[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]methyl]benzoate?

The InChIKey is GXQUGTPKZVTXHY-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H30N4O4/c1-4-33-21-8-6-14-29-22(17(2)26-23(21)29)24(30)27-20-7-5-13-28(16-20)15-18-9-11-19(12-10-18)25(31)32-3/h6,8-12,14,20H,4-5,7,13,15-16H2,1-3H3,(H,27,30)/t20-/m0/s1.

What are the key properties of methyl 4-[[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]methyl]benzoate?

methyl 4-[[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]methyl]benzoate has a molecular weight of 450.54 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 4-[[(3S)-3-[(8-ethoxy-2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]piperidin-1-yl]methyl]benzoate is sourced from PubChem (CID 90090296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).