[4-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]phenyl]arsonic acid

C16H16AsN3O5 — CID 110500265

IUPAC[4-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]phenyl]arsonic acid
SMILESCc1cn2cccc(OCC(=O)Nc3ccc([As](=O)(O)O)cc3)c2n1
InChIInChI=1S/C16H16AsN3O5/c1-11-9-20-8-2-3-14(16(20)18-11)25-10-15(21)19-13-6-4-12(5-7-13)17(22,23)24/h2-9H,10H2,1H3,(H,19,21)(H2,22,23,24)
InChIKeyVOJZMLZZOIJXDU-UHFFFAOYSA-N
MW405.24 g/mol
LogP0.22
Rot. Bonds5

About [4-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]phenyl]arsonic acid

[4-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]phenyl]arsonic acid (PubChem CID 110500265) has the molecular formula C16H16AsN3O5 and a molecular weight of 405.24 g/mol. Its IUPAC name is [4-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]phenyl]arsonic acid.

Molecular Properties

Compound Name[4-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]phenyl]arsonic acid
PubChem CID110500265
Molecular FormulaC16H16AsN3O5
Molecular Weight405.24 g/mol
Exact Mass405.03
IUPAC Name[4-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]phenyl]arsonic acid
SMILESCc1cn2cccc(OCC(=O)Nc3ccc([As](=O)(O)O)cc3)c2n1
InChIInChI=1S/C16H16AsN3O5/c1-11-9-20-8-2-3-14(16(20)18-11)25-10-15(21)19-13-6-4-12(5-7-13)17(22,23)24/h2-9H,10H2,1H3,(H,19,21)(H2,22,23,24)
InChIKeyVOJZMLZZOIJXDU-UHFFFAOYSA-N
XLogP0.22
TPSA113.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.24
LogP ≤ 50.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzene-1,3-dicarboxylic acid
CID 110500173
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-N-[4-(4-methylpiperidin-1-yl)phenyl]acetamide
CID 110500276
N-(2,6-dichlorophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110500214
methyl 3-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]benzoate
CID 110500306
N-(3-fluoro-4-nitrophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110500359
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-N-(4-methyl-3-oxo-1,4-benzoxazin-6-yl)acetamide
CID 110500353
N-(2,4-difluorophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110500320
2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxy-N-(2,4,4-trimethylpentan-2-yl)acetamide
CID 110496806
N-[2-(4-hydroxyphenyl)ethyl]-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110496747
N-[(4-methoxyphenyl)methyl]-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110496780
3-hydroxy-2-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]butanoic acid
CID 110496815
N-[(4-chlorophenyl)methyl]-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110496827

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]phenyl]arsonic acid?
The IUPAC name of [4-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]phenyl]arsonic acid (CID 110500265) is [4-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]phenyl]arsonic acid.
What is the SMILES notation for [4-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]phenyl]arsonic acid?
The canonical SMILES for [4-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]phenyl]arsonic acid is Cc1cn2cccc(OCC(=O)Nc3ccc([As](=O)(O)O)cc3)c2n1.
What is the InChIKey of [4-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]phenyl]arsonic acid?
The InChIKey is VOJZMLZZOIJXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16AsN3O5/c1-11-9-20-8-2-3-14(16(20)18-11)25-10-15(21)19-13-6-4-12(5-7-13)17(22,23)24/h2-9H,10H2,1H3,(H,19,21)(H2,22,23,24).
What are the key properties of [4-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]phenyl]arsonic acid?
[4-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]phenyl]arsonic acid has a molecular weight of 405.24 g/mol, XLogP of 0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetyl]amino]phenyl]arsonic acid is sourced from PubChem (CID 110500265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).