2-(pyrrolidin-2-ylmethoxymethyl)imidazo[1,2-a]pyridine

C13H17N3O — CID 62333242

IUPAC2-(pyrrolidin-2-ylmethoxymethyl)imidazo[1,2-a]pyridine
SMILESc1ccn2cc(COCC3CCCN3)nc2c1
InChIInChI=1S/C13H17N3O/c1-2-7-16-8-12(15-13(16)5-1)10-17-9-11-4-3-6-14-11/h1-2,5,7-8,11,14H,3-4,6,9-10H2
InChIKeyHSLPYGVLDYSZJJ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.60
Rot. Bonds4

About 2-(pyrrolidin-2-ylmethoxymethyl)imidazo[1,2-a]pyridine

2-(pyrrolidin-2-ylmethoxymethyl)imidazo[1,2-a]pyridine (PubChem CID 62333242) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 2-(pyrrolidin-2-ylmethoxymethyl)imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(pyrrolidin-2-ylmethoxymethyl)imidazo[1,2-a]pyridine
PubChem CID62333242
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name2-(pyrrolidin-2-ylmethoxymethyl)imidazo[1,2-a]pyridine
SMILESc1ccn2cc(COCC3CCCN3)nc2c1
InChIInChI=1S/C13H17N3O/c1-2-7-16-8-12(15-13(16)5-1)10-17-9-11-4-3-6-14-11/h1-2,5,7-8,11,14H,3-4,6,9-10H2
InChIKeyHSLPYGVLDYSZJJ-UHFFFAOYSA-N
XLogP1.60
TPSA38.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-2-ylmethoxymethyl)imidazo[1,2-a]pyridine?
The IUPAC name of 2-(pyrrolidin-2-ylmethoxymethyl)imidazo[1,2-a]pyridine (CID 62333242) is 2-(pyrrolidin-2-ylmethoxymethyl)imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(pyrrolidin-2-ylmethoxymethyl)imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(pyrrolidin-2-ylmethoxymethyl)imidazo[1,2-a]pyridine is c1ccn2cc(COCC3CCCN3)nc2c1.
What is the InChIKey of 2-(pyrrolidin-2-ylmethoxymethyl)imidazo[1,2-a]pyridine?
The InChIKey is HSLPYGVLDYSZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-2-7-16-8-12(15-13(16)5-1)10-17-9-11-4-3-6-14-11/h1-2,5,7-8,11,14H,3-4,6,9-10H2.
What are the key properties of 2-(pyrrolidin-2-ylmethoxymethyl)imidazo[1,2-a]pyridine?
2-(pyrrolidin-2-ylmethoxymethyl)imidazo[1,2-a]pyridine has a molecular weight of 231.30 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-2-ylmethoxymethyl)imidazo[1,2-a]pyridine is sourced from PubChem (CID 62333242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).