2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid

C13H15N3O2 — CID 117133831

IUPAC2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2cc(CC3CCNC3)nc2c1
InChIInChI=1S/C13H15N3O2/c17-13(18)10-2-4-16-8-11(15-12(16)6-10)5-9-1-3-14-7-9/h2,4,6,8-9,14H,1,3,5,7H2,(H,17,18)
InChIKeyREMSUEHYZGBONC-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.18
Rot. Bonds3

About 2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid

2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid (PubChem CID 117133831) 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-7-carboxylic acid.

Molecular Properties

Compound Name2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid
PubChem CID117133831
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid
SMILESO=C(O)c1ccn2cc(CC3CCNC3)nc2c1
InChIInChI=1S/C13H15N3O2/c17-13(18)10-2-4-16-8-11(15-12(16)6-10)5-9-1-3-14-7-9/h2,4,6,8-9,14H,1,3,5,7H2,(H,17,18)
InChIKeyREMSUEHYZGBONC-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]pyridin-7-yl]methanamine
CID 117133738
2-[(1-ethylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylic acid
CID 117133967
2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117136126
7-piperazin-1-yl-2-(piperidin-3-ylmethyl)imidazo[1,2-a]pyridine
CID 117236368
methyl 2-[(1-propan-2-ylpiperidin-4-yl)methyl]imidazo[1,2-a]pyridine-7-carboxylate
CID 117133970
2-cyclohexylimidazo[1,2-a]pyridine-7-carboxylic acid
CID 82357034
1-methyl-2-(pyrrolidin-3-ylmethyl)benzimidazole-5-carboxylic acid
CID 84637794
3-chloro-4-(pyrrolidin-3-ylmethyl)benzoic acid
CID 84800004
2-(piperidin-4-ylmethyl)imidazo[1,2-a]pyridine-5-carboxylic acid
CID 117131577
7-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054645
4-[6-[[(3R)-pyrrolidin-3-yl]methyl]pyrazin-2-yl]benzoic acid
CID 125005600
1-methyl-3-(pyrrolidin-3-ylmethyl)pyrazole-5-carboxylic acid
CID 115092355

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid (CID 117133831) is 2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid is O=C(O)c1ccn2cc(CC3CCNC3)nc2c1.
What is the InChIKey of 2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid?
The InChIKey is REMSUEHYZGBONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c17-13(18)10-2-4-16-8-11(15-12(16)6-10)5-9-1-3-14-7-9/h2,4,6,8-9,14H,1,3,5,7H2,(H,17,18).
What are the key properties of 2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-7-carboxylic acid?
2-(pyrrolidin-3-ylmethyl)imidazo[1,2-a]pyridine-7-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-7-carboxylic acid is sourced from PubChem (CID 117133831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).