[(2S)-1-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylanilino]-1-oxopropan-2-yl] acetate

C22H24N4O4 — CID 139767773

About [(2S)-1-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylanilino]-1-oxopropan-2-yl] acetate

[(2S)-1-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylanilino]-1-oxopropan-2-yl] acetate (PubChem CID 139767773) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is [(2S)-1-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylanilino]-1-oxopropan-2-yl] acetate.

Molecular Properties

• Compound Name: [(2S)-1-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylanilino]-1-oxopropan-2-yl] acetate
• PubChem CID: 139767773
• Molecular Formula: C22H24N4O4
• Molecular Weight: 408.46 g/mol
• Exact Mass: 408.18
• IUPAC Name: [(2S)-1-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylanilino]-1-oxopropan-2-yl] acetate
• SMILES: CC(=O)O[C@@H](C)C(=O)Nc1cccc(C)c1CNc1cccn2c(C=O)c(C)nc12
• InChI: InChI=1S/C22H24N4O4/c1-13-7-5-8-18(25-22(29)15(3)30-16(4)28)17(13)11-23-19-9-6-10-26-20(12-27)14(2)24-21(19)26/h5-10,12,15,23H,11H2,1-4H3,(H,25,29)/t15-/m0/s1
• InChIKey: HPCWNCIFAYXAPX-HNNXBMFYSA-N
• XLogP: 3.27
• TPSA: 101.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.46
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylanilino]-1-oxopropan-2-yl] acetate?

The IUPAC name of [(2S)-1-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylanilino]-1-oxopropan-2-yl] acetate (CID 139767773) is [(2S)-1-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylanilino]-1-oxopropan-2-yl] acetate.

What is the SMILES notation for [(2S)-1-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylanilino]-1-oxopropan-2-yl] acetate?

The canonical SMILES for [(2S)-1-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylanilino]-1-oxopropan-2-yl] acetate is CC(=O)O[C@@H](C)C(=O)Nc1cccc(C)c1CNc1cccn2c(C=O)c(C)nc12.

What is the InChIKey of [(2S)-1-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylanilino]-1-oxopropan-2-yl] acetate?

The InChIKey is HPCWNCIFAYXAPX-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-13-7-5-8-18(25-22(29)15(3)30-16(4)28)17(13)11-23-19-9-6-10-26-20(12-27)14(2)24-21(19)26/h5-10,12,15,23H,11H2,1-4H3,(H,25,29)/t15-/m0/s1.

What are the key properties of [(2S)-1-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylanilino]-1-oxopropan-2-yl] acetate?

[(2S)-1-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylanilino]-1-oxopropan-2-yl] acetate has a molecular weight of 408.46 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(2S)-1-[2-[[(3-formyl-2-methylimidazo[1,2-a]pyridin-8-yl)amino]methyl]-3-methylanilino]-1-oxopropan-2-yl] acetate is sourced from PubChem (CID 139767773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).