2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine

C13H19N3O — CID 117159722

IUPAC2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine
SMILESCCCn1c(CCCOC)nc2cccnc21
InChIInChI=1S/C13H19N3O/c1-3-9-16-12(7-5-10-17-2)15-11-6-4-8-14-13(11)16/h4,6,8H,3,5,7,9-10H2,1-2H3
InChIKeyXZPSATVHFDOBOY-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.42
Rot. Bonds6

About 2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine

2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine (PubChem CID 117159722) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine
PubChem CID117159722
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine
SMILESCCCn1c(CCCOC)nc2cccnc21
InChIInChI=1S/C13H19N3O/c1-3-9-16-12(7-5-10-17-2)15-11-6-4-8-14-13(11)16/h4,6,8H,3,5,7,9-10H2,1-2H3
InChIKeyXZPSATVHFDOBOY-UHFFFAOYSA-N
XLogP2.42
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(2-methoxyethyl)-2-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]imidazo[4,5-b]pyridine
CID 20955418
2-ethyl-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117165576
2-ethyl-3-propylimidazo[4,5-b]pyridine
CID 20777190
3-[(2-chlorophenyl)methyl]-2-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117159702
2-butyl-3-ethylimidazo[4,5-b]pyridine
CID 150562237
2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117159635
2-[(2-chlorophenyl)methyl]-3-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117165163
2-methoxy-N-[2-(3-propylimidazo[4,5-b]pyridin-2-yl)ethyl]benzamide
CID 71842723
3-[(4-chlorophenyl)methyl]-2-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117159968
3-(2-methoxyphenyl)-2-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117159751
3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine
CID 14855700
4-[[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol
CID 117165381

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine (CID 117159722) is 2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine is CCCn1c(CCCOC)nc2cccnc21.
What is the InChIKey of 2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine?
The InChIKey is XZPSATVHFDOBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-9-16-12(7-5-10-17-2)15-11-6-4-8-14-13(11)16/h4,6,8H,3,5,7,9-10H2,1-2H3.
What are the key properties of 2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine?
2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine has a molecular weight of 233.31 g/mol, XLogP of 2.42, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117159722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).