2-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid

C13H14N2O3 — CID 117134469

IUPAC2-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2cc(CC3CCCO3)nc2c1
InChIInChI=1S/C13H14N2O3/c16-13(17)9-3-4-15-8-10(14-12(15)6-9)7-11-2-1-5-18-11/h3-4,6,8,11H,1-2,5,7H2,(H,16,17)
InChIKeySMTNSZPEOHRKLE-UHFFFAOYSA-N
MW246.27 g/mol
LogP1.75
Rot. Bonds3

About 2-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid

2-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 117134469) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID117134469
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2cc(CC3CCCO3)nc2c1
InChIInChI=1S/C13H14N2O3/c16-13(17)9-3-4-15-8-10(14-12(15)6-9)7-11-2-1-5-18-11/h3-4,6,8,11H,1-2,5,7H2,(H,16,17)
InChIKeySMTNSZPEOHRKLE-UHFFFAOYSA-N
XLogP1.75
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117133967
2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117133831
2-(oxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117134338
2-cyclohexylimidazo[1,2-a]pyridine-7-carboxylic acid
CID 82357034
2-(oxan-2-ylmethyl)imidazo[1,2-a]pyridin-8-ol
CID 117136833
2-(1-ethylpiperidin-4-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117133711
2-(1-ethylpiperidin-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117134358
imidazo[1,2-a]pyridine-2,7-dicarboxylic acid
CID 19701499
8-methyl-2-(oxan-2-ylmethyl)imidazo[1,2-a]pyridine
CID 117136831
2-(oxolan-2-ylmethyl)-1,3-benzoxazole-6-carboxylic acid
CID 81358357
methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117133970
1-(oxolan-2-ylmethyl)indole-5-carboxylic acid
CID 63749653

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid (CID 117134469) is 2-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2cc(CC3CCCO3)nc2c1.
What is the InChIKey of 2-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is SMTNSZPEOHRKLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-13(17)9-3-4-15-8-10(14-12(15)6-9)7-11-2-1-5-18-11/h3-4,6,8,11H,1-2,5,7H2,(H,16,17).
What are the key properties of 2-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid?
2-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid has a molecular weight of 246.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 117134469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).