2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid

C13H15N3O2 — CID 117136126

IUPAC2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2cc(CC3CCNC3)nc12
InChIInChI=1S/C13H15N3O2/c17-13(18)11-2-1-5-16-8-10(15-12(11)16)6-9-3-4-14-7-9/h1-2,5,8-9,14H,3-4,6-7H2,(H,17,18)
InChIKeyATBVGBGTNWJECK-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.18
Rot. Bonds3

About 2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid

2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid (PubChem CID 117136126) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid.

Molecular Properties

Compound Name2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
PubChem CID117136126
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
SMILESO=C(O)c1cccn2cc(CC3CCNC3)nc12
InChIInChI=1S/C13H15N3O2/c17-13(18)11-2-1-5-16-8-10(15-12(11)16)6-9-3-4-14-7-9/h1-2,5,8-9,14H,3-4,6-7H2,(H,17,18)
InChIKeyATBVGBGTNWJECK-UHFFFAOYSA-N
XLogP1.18
TPSA66.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117133831
8-fluoro-2-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine
CID 105492803
2-ethylimidazo[1,2-a]pyridine-8-carboxylic acid
CID 67360702
3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-8-carboxylic acid
CID 117147434
9-hydroxy-2-(piperidin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054753
[2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridin-7-yl]methanamine
CID 117133738
2-(piperidin-3-ylmethyl)benzoic acid
CID 84786861
2-bromoimidazo[1,2-a]pyridine-8-carboxylic acid
CID 83824882
2-(pyrrolidin-3-ylmethyl)-9-(trifluoromethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115053369
8-methyl-2-[(1-methylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine
CID 117136212
2-[(2-chlorophenoxy)methyl]imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256740
methyl 2-piperidin-4-ylimidazo[1,2-a]pyridine-8-carboxylate
CID 117136001

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
The IUPAC name of 2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid (CID 117136126) is 2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid.
What is the SMILES notation for 2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
The canonical SMILES for 2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid is O=C(O)c1cccn2cc(CC3CCNC3)nc12.
What is the InChIKey of 2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
The InChIKey is ATBVGBGTNWJECK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(18)11-2-1-5-16-8-10(15-12(11)16)6-9-3-4-14-7-9/h1-2,5,8-9,14H,3-4,6-7H2,(H,17,18).
What are the key properties of 2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid?
2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid is sourced from PubChem (CID 117136126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).