3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine

C13H18N4 — CID 117166193

IUPAC3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
SMILESCCN1CCCC1Cn1cnc2cccnc21
InChIInChI=1S/C13H18N4/c1-2-16-8-4-5-11(16)9-17-10-15-12-6-3-7-14-13(12)17/h3,6-7,10-11H,2,4-5,8-9H2,1H3
InChIKeyDQHGXVJPYLORIM-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.92
Rot. Bonds3

About 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine

3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine (PubChem CID 117166193) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
PubChem CID117166193
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
SMILESCCN1CCCC1Cn1cnc2cccnc21
InChIInChI=1S/C13H18N4/c1-2-16-8-4-5-11(16)9-17-10-15-12-6-3-7-14-13(12)17/h3,6-7,10-11H,2,4-5,8-9H2,1H3
InChIKeyDQHGXVJPYLORIM-UHFFFAOYSA-N
XLogP1.92
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-ethylpyrrolidin-2-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166417
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(furan-2-yl)imidazo[4,5-b]pyridine
CID 117164362
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161912
3-cyclopentyl-2-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163544
3-[[(2R)-oxiran-2-yl]methyl]imidazo[4,5-b]pyridine
CID 97180386
2-ethyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117165731
2-[2-[(1-ethylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]-N,N-dimethylethanamine
CID 117163842
4-[(1-ethylpyrrolidin-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72931501
2-tert-butyl-3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117166391
2-(1-ethylpyrrolidin-2-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117162401
2-[2-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117162171
2-[3-(1-ethylpyrrolidin-2-yl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159869

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine (CID 117166193) is 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine is CCN1CCCC1Cn1cnc2cccnc21.
What is the InChIKey of 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
The InChIKey is DQHGXVJPYLORIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-16-8-4-5-11(16)9-17-10-15-12-6-3-7-14-13(12)17/h3,6-7,10-11H,2,4-5,8-9H2,1H3.
What are the key properties of 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine?
3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine has a molecular weight of 230.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine is sourced from PubChem (CID 117166193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).