2-[4-(3-carbamoylimidazo[1,2-a]pyridin-2-yl)oxyphenoxy]propanoic acid

C17H15N3O5 — CID 70364898

IUPAC2-[4-(3-carbamoylimidazo[1,2-a]pyridin-2-yl)oxyphenoxy]propanoic acid
SMILESCC(Oc1ccc(Oc2nc3ccccn3c2C(N)=O)cc1)C(=O)O
InChIInChI=1S/C17H15N3O5/c1-10(17(22)23)24-11-5-7-12(8-6-11)25-16-14(15(18)21)20-9-3-2-4-13(20)19-16/h2-10H,1H3,(H2,18,21)(H,22,23)
InChIKeySMWDBPFKNUKEIQ-UHFFFAOYSA-N
MW341.32 g/mol
LogP2.08
Rot. Bonds6

About 2-[4-(3-carbamoylimidazo[1,2-a]pyridin-2-yl)oxyphenoxy]propanoic acid

2-[4-(3-carbamoylimidazo[1,2-a]pyridin-2-yl)oxyphenoxy]propanoic acid (PubChem CID 70364898) has the molecular formula C17H15N3O5 and a molecular weight of 341.32 g/mol. Its IUPAC name is 2-[4-(3-carbamoylimidazo[1,2-a]pyridin-2-yl)oxyphenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-(3-carbamoylimidazo[1,2-a]pyridin-2-yl)oxyphenoxy]propanoic acid
PubChem CID70364898
Molecular FormulaC17H15N3O5
Molecular Weight341.32 g/mol
Exact Mass341.10
IUPAC Name2-[4-(3-carbamoylimidazo[1,2-a]pyridin-2-yl)oxyphenoxy]propanoic acid
SMILESCC(Oc1ccc(Oc2nc3ccccn3c2C(N)=O)cc1)C(=O)O
InChIInChI=1S/C17H15N3O5/c1-10(17(22)23)24-11-5-7-12(8-6-11)25-16-14(15(18)21)20-9-3-2-4-13(20)19-16/h2-10H,1H3,(H2,18,21)(H,22,23)
InChIKeySMWDBPFKNUKEIQ-UHFFFAOYSA-N
XLogP2.08
TPSA116.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.32
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-carbamoylimidazo[1,2-a]pyridin-2-yl)oxyphenoxy]propanoic acid?
The IUPAC name of 2-[4-(3-carbamoylimidazo[1,2-a]pyridin-2-yl)oxyphenoxy]propanoic acid (CID 70364898) is 2-[4-(3-carbamoylimidazo[1,2-a]pyridin-2-yl)oxyphenoxy]propanoic acid.
What is the SMILES notation for 2-[4-(3-carbamoylimidazo[1,2-a]pyridin-2-yl)oxyphenoxy]propanoic acid?
The canonical SMILES for 2-[4-(3-carbamoylimidazo[1,2-a]pyridin-2-yl)oxyphenoxy]propanoic acid is CC(Oc1ccc(Oc2nc3ccccn3c2C(N)=O)cc1)C(=O)O.
What is the InChIKey of 2-[4-(3-carbamoylimidazo[1,2-a]pyridin-2-yl)oxyphenoxy]propanoic acid?
The InChIKey is SMWDBPFKNUKEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5/c1-10(17(22)23)24-11-5-7-12(8-6-11)25-16-14(15(18)21)20-9-3-2-4-13(20)19-16/h2-10H,1H3,(H2,18,21)(H,22,23).
What are the key properties of 2-[4-(3-carbamoylimidazo[1,2-a]pyridin-2-yl)oxyphenoxy]propanoic acid?
2-[4-(3-carbamoylimidazo[1,2-a]pyridin-2-yl)oxyphenoxy]propanoic acid has a molecular weight of 341.32 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-carbamoylimidazo[1,2-a]pyridin-2-yl)oxyphenoxy]propanoic acid is sourced from PubChem (CID 70364898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).