7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid

C18H20N2O4 — CID 155436964

IUPAC7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCC12CC(c3cn4cc(C(=O)O)c(OC5CCC5)cc4n3)(CO1)C2
InChIInChI=1S/C18H20N2O4/c1-17-8-18(9-17,10-23-17)14-7-20-6-12(16(21)22)13(5-15(20)19-14)24-11-3-2-4-11/h5-7,11H,2-4,8-10H2,1H3,(H,21,22)
InChIKeyAMYVPFOMSOZYMB-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.78
Rot. Bonds4

About 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid

7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 155436964) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID155436964
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC Name7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCC12CC(c3cn4cc(C(=O)O)c(OC5CCC5)cc4n3)(CO1)C2
InChIInChI=1S/C18H20N2O4/c1-17-8-18(9-17,10-23-17)14-7-20-6-12(16(21)22)13(5-15(20)19-14)24-11-3-2-4-11/h5-7,11H,2-4,8-10H2,1H3,(H,21,22)
InChIKeyAMYVPFOMSOZYMB-UHFFFAOYSA-N
XLogP2.78
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 155436964) is 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is CC12CC(c3cn4cc(C(=O)O)c(OC5CCC5)cc4n3)(CO1)C2.
What is the InChIKey of 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is AMYVPFOMSOZYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-17-8-18(9-17,10-23-17)14-7-20-6-12(16(21)22)13(5-15(20)19-14)24-11-3-2-4-11/h5-7,11H,2-4,8-10H2,1H3,(H,21,22).
What are the key properties of 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid?
7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 328.37 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 155436964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).