2-tert-butyl-7-(4-oxaspiro[2.4]heptan-6-yloxy)imidazo[1,2-a]pyridine-6-carboxylic acid

C18H22N2O4 — CID 167420033

IUPAC2-tert-butyl-7-(4-oxaspiro[2.4]heptan-6-yloxy)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCC(C)(C)c1cn2cc(C(=O)O)c(OC3COC4(CC4)C3)cc2n1
InChIInChI=1S/C18H22N2O4/c1-17(2,3)14-9-20-8-12(16(21)22)13(6-15(20)19-14)24-11-7-18(4-5-18)23-10-11/h6,8-9,11H,4-5,7,10H2,1-3H3,(H,21,22)
InChIKeyGSEJIXZTBHRLPL-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.03
Rot. Bonds3

About 2-tert-butyl-7-(4-oxaspiro[2.4]heptan-6-yloxy)imidazo[1,2-a]pyridine-6-carboxylic acid

2-tert-butyl-7-(4-oxaspiro[2.4]heptan-6-yloxy)imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 167420033) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-tert-butyl-7-(4-oxaspiro[2.4]heptan-6-yloxy)imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-7-(4-oxaspiro[2.4]heptan-6-yloxy)imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID167420033
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-tert-butyl-7-(4-oxaspiro[2.4]heptan-6-yloxy)imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCC(C)(C)c1cn2cc(C(=O)O)c(OC3COC4(CC4)C3)cc2n1
InChIInChI=1S/C18H22N2O4/c1-17(2,3)14-9-20-8-12(16(21)22)13(6-15(20)19-14)24-11-7-18(4-5-18)23-10-11/h6,8-9,11H,4-5,7,10H2,1-3H3,(H,21,22)
InChIKeyGSEJIXZTBHRLPL-UHFFFAOYSA-N
XLogP3.03
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-(4-oxaspiro[2.4]heptan-6-yloxy)imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-tert-butyl-7-(4-oxaspiro[2.4]heptan-6-yloxy)imidazo[1,2-a]pyridine-6-carboxylic acid (CID 167420033) is 2-tert-butyl-7-(4-oxaspiro[2.4]heptan-6-yloxy)imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-7-(4-oxaspiro[2.4]heptan-6-yloxy)imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-tert-butyl-7-(4-oxaspiro[2.4]heptan-6-yloxy)imidazo[1,2-a]pyridine-6-carboxylic acid is CC(C)(C)c1cn2cc(C(=O)O)c(OC3COC4(CC4)C3)cc2n1.
What is the InChIKey of 2-tert-butyl-7-(4-oxaspiro[2.4]heptan-6-yloxy)imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is GSEJIXZTBHRLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-17(2,3)14-9-20-8-12(16(21)22)13(6-15(20)19-14)24-11-7-18(4-5-18)23-10-11/h6,8-9,11H,4-5,7,10H2,1-3H3,(H,21,22).
What are the key properties of 2-tert-butyl-7-(4-oxaspiro[2.4]heptan-6-yloxy)imidazo[1,2-a]pyridine-6-carboxylic acid?
2-tert-butyl-7-(4-oxaspiro[2.4]heptan-6-yloxy)imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-(4-oxaspiro[2.4]heptan-6-yloxy)imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 167420033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).