2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid

C14H18N4O2 — CID 63163885

IUPAC2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCN(C)C1CCN(c2nc3ccccn3c2C(=O)O)C1
InChIInChI=1S/C14H18N4O2/c1-16(2)10-6-8-17(9-10)13-12(14(19)20)18-7-4-3-5-11(18)15-13/h3-5,7,10H,6,8-9H2,1-2H3,(H,19,20)
InChIKeyKCDRWECGQJCOKN-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.17
Rot. Bonds3

About 2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid

2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid (PubChem CID 63163885) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
PubChem CID63163885
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
SMILESCN(C)C1CCN(c2nc3ccccn3c2C(=O)O)C1
InChIInChI=1S/C14H18N4O2/c1-16(2)10-6-8-17(9-10)13-12(14(19)20)18-7-4-3-5-11(18)15-13/h3-5,7,10H,6,8-9H2,1-2H3,(H,19,20)
InChIKeyKCDRWECGQJCOKN-UHFFFAOYSA-N
XLogP1.17
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61227192
2-(4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477803
2-(3-hydroxy-4-methylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 102958616
2-[3-(aminomethyl)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 62063458
2-(3-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43584666
N,N-dimethyl-1-[3-(methylaminomethyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-3-amine
CID 63164894
2-(3,5-dioxopiperazin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 66083555
2-[4-(dimethylamino)piperidin-1-yl]imidazo[1,2-a]pyridine-3-carbaldehyde
CID 43586157
2-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 106314441
1-[3-(bromomethyl)imidazo[1,2-a]pyridin-2-yl]-N,N-dimethylpiperidin-4-amine
CID 107080536
2-(2-carbamoylpyrrolidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477869
2-(2-ethylpiperidin-1-yl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 43477885

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The IUPAC name of 2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid (CID 63163885) is 2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The canonical SMILES for 2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid is CN(C)C1CCN(c2nc3ccccn3c2C(=O)O)C1.
What is the InChIKey of 2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
The InChIKey is KCDRWECGQJCOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-16(2)10-6-8-17(9-10)13-12(14(19)20)18-7-4-3-5-11(18)15-13/h3-5,7,10H,6,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid?
2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid has a molecular weight of 274.32 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)pyrrolidin-1-yl]imidazo[1,2-a]pyridine-3-carboxylic acid is sourced from PubChem (CID 63163885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).