2-(oxan-2-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid

C16H20N2O4 — CID 155443896

IUPAC2-(oxan-2-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCC(C)Oc1cc2nc(C3CCCCO3)cn2cc1C(=O)O
InChIInChI=1S/C16H20N2O4/c1-10(2)22-14-7-15-17-12(13-5-3-4-6-21-13)9-18(15)8-11(14)16(19)20/h7-10,13H,3-6H2,1-2H3,(H,19,20)
InChIKeyNWOLJNHVUXEWRT-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.06
Rot. Bonds4

About 2-(oxan-2-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid

2-(oxan-2-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 155443896) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is 2-(oxan-2-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-(oxan-2-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID155443896
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC Name2-(oxan-2-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCC(C)Oc1cc2nc(C3CCCCO3)cn2cc1C(=O)O
InChIInChI=1S/C16H20N2O4/c1-10(2)22-14-7-15-17-12(13-5-3-4-6-21-13)9-18(15)8-11(14)16(19)20/h7-10,13H,3-6H2,1-2H3,(H,19,20)
InChIKeyNWOLJNHVUXEWRT-UHFFFAOYSA-N
XLogP3.06
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(oxan-2-yl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117134338
2-cyclohexyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid;ethane;methoxymethylbenzene
CID 166471814
7-propan-2-yloxy-2-(trifluoromethyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 163409780
7-methyl-2-(oxan-2-yl)imidazo[1,2-a]pyridine
CID 117134276
6-bromo-2-(oxan-2-yl)imidazo[1,2-a]pyridine
CID 117129640
2-cyclohexyl-7-propan-2-yloxy-N-[6-(trifluoromethyl)-2-pyridinyl]imidazo[1,2-a]pyridine-6-carboxamide;methanol
CID 166472332
2-cyclohexyl-7-propan-2-yloxy-N-pyrazolo[1,5-a]pyrimidin-3-ylimidazo[1,2-a]pyridine-6-carboxamide;methanol
CID 166472058
2-cyclopropyl-7-phenylmethoxyimidazo[1,2-a]pyridine-6-carboxylic acid
CID 155437086
7-cyclobutyloxy-2-(1-methyl-2-oxabicyclo[2.1.1]hexan-4-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 155436964
CID 175739360
CID 175739360
1-(1-methylpyrazol-3-yl)-2-[2-(oxan-4-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridin-6-yl]ethanone
CID 164993715
N-[6-(cyanomethyl)-2-pyridinyl]-2-cyclopropyl-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxamide
CID 167420227

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-2-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-(oxan-2-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid (CID 155443896) is 2-(oxan-2-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-(oxan-2-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-(oxan-2-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid is CC(C)Oc1cc2nc(C3CCCCO3)cn2cc1C(=O)O.
What is the InChIKey of 2-(oxan-2-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is NWOLJNHVUXEWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-10(2)22-14-7-15-17-12(13-5-3-4-6-21-13)9-18(15)8-11(14)16(19)20/h7-10,13H,3-6H2,1-2H3,(H,19,20).
What are the key properties of 2-(oxan-2-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid?
2-(oxan-2-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 304.35 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-2-yl)-7-propan-2-yloxyimidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 155443896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).