2-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxylic acid

C12H15N3O2 — CID 117130963

IUPAC2-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCN(C)CCc1cn2cc(C(=O)O)ccc2n1
InChIInChI=1S/C12H15N3O2/c1-14(2)6-5-10-8-15-7-9(12(16)17)3-4-11(15)13-10/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeyPDDHSZVRBWQNNF-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.14
Rot. Bonds4

About 2-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxylic acid

2-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxylic acid (PubChem CID 117130963) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name2-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxylic acid
PubChem CID117130963
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name2-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxylic acid
SMILESCN(C)CCc1cn2cc(C(=O)O)ccc2n1
InChIInChI=1S/C12H15N3O2/c1-14(2)6-5-10-8-15-7-9(12(16)17)3-4-11(15)13-10/h3-4,7-8H,5-6H2,1-2H3,(H,16,17)
InChIKeyPDDHSZVRBWQNNF-UHFFFAOYSA-N
XLogP1.14
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-aminoethyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82372253
2-[(3-methylphenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 82223479
2-[(2-fluorophenyl)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117130528
2-[(2-methoxyphenoxy)methyl]imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117256132
3-(6-methylimidazo[1,2-a]pyridin-2-yl)propanoic acid
CID 4912874
2-(4-carboxyphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128170
2-cyclopropylimidazo[1,2-a]pyridine-6-carboxylic acid
CID 63906537
2-phosphonoimidazo[1,2-a]pyridine-6-carboxylic acid
CID 19701527
2-[6-(dimethylamino)imidazo[1,2-a]pyridin-2-yl]acetic acid
CID 82022029
2-(1-methylpyrrolidin-2-yl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117129579
methyl 2-(methylsulfanylmethyl)imidazo[1,2-a]pyridine-6-carboxylate
CID 117256159
2-ethylimidazo[1,2-a]pyridine-6-carboxamide;methanesulfonic acid
CID 87830909

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxylic acid?
The IUPAC name of 2-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxylic acid (CID 117130963) is 2-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxylic acid.
What is the SMILES notation for 2-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxylic acid?
The canonical SMILES for 2-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxylic acid is CN(C)CCc1cn2cc(C(=O)O)ccc2n1.
What is the InChIKey of 2-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxylic acid?
The InChIKey is PDDHSZVRBWQNNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-14(2)6-5-10-8-15-7-9(12(16)17)3-4-11(15)13-10/h3-4,7-8H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxylic acid?
2-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)ethyl]imidazo[1,2-a]pyridine-6-carboxylic acid is sourced from PubChem (CID 117130963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).