6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylic acid;ethane

C17H19N3O3 — CID 145297524

IUPAC6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylic acid;ethane
SMILESCC.Cc1cc(-c2ccc3ncc(C(=O)O)n3c2)cn(C)c1=O
InChIInChI=1S/C15H13N3O3.C2H6/c1-9-5-11(7-17(2)14(9)19)10-3-4-13-16-6-12(15(20)21)18(13)8-10;1-2/h3-8H,1-2H3,(H,20,21);1-2H3
InChIKeyFMLAVHYAKHHESR-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.73
Rot. Bonds2

About 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylic acid;ethane

6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylic acid;ethane (PubChem CID 145297524) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylic acid;ethane.

Molecular Properties

Compound Name6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylic acid;ethane
PubChem CID145297524
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylic acid;ethane
SMILESCC.Cc1cc(-c2ccc3ncc(C(=O)O)n3c2)cn(C)c1=O
InChIInChI=1S/C15H13N3O3.C2H6/c1-9-5-11(7-17(2)14(9)19)10-3-4-13-16-6-12(15(20)21)18(13)8-10;1-2/h3-8H,1-2H3,(H,20,21);1-2H3
InChIKeyFMLAVHYAKHHESR-UHFFFAOYSA-N
XLogP2.73
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-5-[3-(N-methylanilino)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 129070909
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-methylimidazo[1,2-a]pyridine-3-sulfonamide;molecular hydrogen
CID 145297525
5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
CID 129053950
1,3-dimethyl-5-[3-[(2S)-2-methylpyrrolidin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 135365906
6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-hexylimidazo[1,2-a]pyridine-3-sulfonamide
CID 145297532
1,3-dimethyl-5-[2-methyl-3-(pyridine-4-carbonyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 129053981
5-(3-benzylimidazo[1,2-a]pyridin-6-yl)-1,3-dimethylpyridin-2-one;5-[3-[(4-chlorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;5-[3-[(4-fluorophenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;5-[3-[(4-methoxyphenyl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one
CID 159703083
1,3-dimethyl-5-[2-methyl-3-(pyridin-2-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one
CID 129070485
6-[2-(3-fluoro-5,6-dimethyl-2-pyridinyl)ethynyl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 163817296
6-[(3,4-dimethylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 167440405
6-(difluoromethyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 170957612
7-(1,5-dimethyl-6-oxo-3-pyridinyl)-1,4-benzoxazin-2-one
CID 126572990

Frequently Asked Questions

What is the IUPAC name of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylic acid;ethane?
The IUPAC name of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylic acid;ethane (CID 145297524) is 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylic acid;ethane.
What is the SMILES notation for 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylic acid;ethane?
The canonical SMILES for 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylic acid;ethane is CC.Cc1cc(-c2ccc3ncc(C(=O)O)n3c2)cn(C)c1=O.
What is the InChIKey of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylic acid;ethane?
The InChIKey is FMLAVHYAKHHESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O3.C2H6/c1-9-5-11(7-17(2)14(9)19)10-3-4-13-16-6-12(15(20)21)18(13)8-10;1-2/h3-8H,1-2H3,(H,20,21);1-2H3.
What are the key properties of 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylic acid;ethane?
6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylic acid;ethane has a molecular weight of 313.36 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-carboxylic acid;ethane is sourced from PubChem (CID 145297524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).