2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid

C16H21N3O2 — CID 117132108

IUPAC2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCC(C)N1CCCC1Cc1cn2c(C(=O)O)cccc2n1
InChIInChI=1S/C16H21N3O2/c1-11(2)18-8-4-5-13(18)9-12-10-19-14(16(20)21)6-3-7-15(19)17-12/h3,6-7,10-11,13H,4-5,8-9H2,1-2H3,(H,20,21)
InChIKeyVVZLPFBWGYIVEA-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.45
Rot. Bonds4

About 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid

2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid (PubChem CID 117132108) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid.

Molecular Properties

Compound Name2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
PubChem CID117132108
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
SMILESCC(C)N1CCCC1Cc1cn2c(C(=O)O)cccc2n1
InChIInChI=1S/C16H21N3O2/c1-11(2)18-8-4-5-13(18)9-12-10-19-14(16(20)21)6-3-7-15(19)17-12/h3,6-7,10-11,13H,4-5,8-9H2,1-2H3,(H,20,21)
InChIKeyVVZLPFBWGYIVEA-UHFFFAOYSA-N
XLogP2.45
TPSA57.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-propan-2-ylpiperidin-3-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117132364
2-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117131577
methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117132114
2-[(cyclobutylamino)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255785
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-6-carbaldehyde
CID 117129776
2-(piperidin-1-ylmethyl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117255796
[2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridin-5-yl]methanamine
CID 117132004
2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methyl]pyrazole-3-carboxylic acid
CID 167396164
2-propan-2-ylimidazo[1,2-a]pyridine-5-carboxylic acid
CID 80503767
5-methyl-2-[(1-methylpiperidin-2-yl)methyl]imidazo[1,2-a]pyridine
CID 117132185
7-methoxy-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine
CID 117134376
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridin-8-amine
CID 117136747

Frequently Asked Questions

What is the IUPAC name of 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The IUPAC name of 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid (CID 117132108) is 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid.
What is the SMILES notation for 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The canonical SMILES for 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid is CC(C)N1CCCC1Cc1cn2c(C(=O)O)cccc2n1.
What is the InChIKey of 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
The InChIKey is VVZLPFBWGYIVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(2)18-8-4-5-13(18)9-12-10-19-14(16(20)21)6-3-7-15(19)17-12/h3,6-7,10-11,13H,4-5,8-9H2,1-2H3,(H,20,21).
What are the key properties of 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid?
2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid has a molecular weight of 287.36 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[1,2-a]pyridine-5-carboxylic acid is sourced from PubChem (CID 117132108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).