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

C16H24N4 — CID 117161335

IUPAC2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine
SMILESCCCn1c(CC2CCN(CC)C2)nc2cccnc21
InChIInChI=1S/C16H24N4/c1-3-9-20-15(11-13-7-10-19(4-2)12-13)18-14-6-5-8-17-16(14)20/h5-6,8,13H,3-4,7,9-12H2,1-2H3
InChIKeySNEPJXIIUJYHFF-UHFFFAOYSA-N
MW272.40 g/mol
LogP2.73
Rot. Bonds5

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

2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine (PubChem CID 117161335) has the molecular formula C16H24N4 and a molecular weight of 272.40 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine
PubChem CID117161335
Molecular FormulaC16H24N4
Molecular Weight272.40 g/mol
Exact Mass272.20
IUPAC Name2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine
SMILESCCCn1c(CC2CCN(CC)C2)nc2cccnc21
InChIInChI=1S/C16H24N4/c1-3-9-20-15(11-13-7-10-19(4-2)12-13)18-14-6-5-8-17-16(14)20/h5-6,8,13H,3-4,7,9-12H2,1-2H3
InChIKeySNEPJXIIUJYHFF-UHFFFAOYSA-N
XLogP2.73
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.40
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1-ethylpyrrolidin-3-yl)methyl]-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161232
2-[3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159828
3-[(1-ethylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 79289670
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylimidazo[4,5-b]pyridine
CID 117166348
2-ethyl-3-propylimidazo[4,5-b]pyridine
CID 20777190
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162257
2-[(1-methylpiperidin-3-yl)methyl]-3-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117164029
[3-[(3-ethylimidazo[4,5-b]pyridin-2-yl)methyl]pyrrolidin-1-yl]-pyridin-2-ylmethanone
CID 83273773
N-methyl-3-[[3-(2-methylpropyl)imidazo[4,5-b]pyridin-2-yl]methyl]pyrrolidine-1-carboxamide
CID 71835939
3-ethyl-2-(oxan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164016
2-[(1-methylpyrrolidin-3-yl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117161203
3-(2-methoxyethyl)-2-[[(3S)-1-(4-methoxyphenyl)sulfonylpyrrolidin-3-yl]methyl]imidazo[4,5-b]pyridine
CID 97429271

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine?
The IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine (CID 117161335) is 2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine is CCCn1c(CC2CCN(CC)C2)nc2cccnc21.
What is the InChIKey of 2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine?
The InChIKey is SNEPJXIIUJYHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4/c1-3-9-20-15(11-13-7-10-19(4-2)12-13)18-14-6-5-8-17-16(14)20/h5-6,8,13H,3-4,7,9-12H2,1-2H3.
What are the key properties of 2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine?
2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine has a molecular weight of 272.40 g/mol, XLogP of 2.73, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-3-yl)methyl]-3-propylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117161335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).