3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine

C18H28N4O — CID 14855700

IUPAC3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine
SMILESCCOCCn1c(CCCN2CCCCC2)nc2cccnc21
InChIInChI=1S/C18H28N4O/c1-2-23-15-14-22-17(20-16-8-6-10-19-18(16)22)9-7-13-21-11-4-3-5-12-21/h6,8,10H,2-5,7,9,11-15H2,1H3
InChIKeyPHYYRJYLDBHAGG-UHFFFAOYSA-N
MW316.45 g/mol
LogP2.89
Rot. Bonds8

About 3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine

3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine (PubChem CID 14855700) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is 3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine
PubChem CID14855700
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine
SMILESCCOCCn1c(CCCN2CCCCC2)nc2cccnc21
InChIInChI=1S/C18H28N4O/c1-2-23-15-14-22-17(20-16-8-6-10-19-18(16)22)9-7-13-21-11-4-3-5-12-21/h6,8,10H,2-5,7,9,11-15H2,1H3
InChIKeyPHYYRJYLDBHAGG-UHFFFAOYSA-N
XLogP2.89
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

bis(but-2-enedioic acid);3-(2-ethoxyethyl)-2-[4-(4-methylpiperazin-1-yl)butyl]imidazo[4,5-b]pyridine
CID 67896497
3-[3-(2-piperidin-1-ylethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159774
2-(1,4-diazepan-1-ylmethyl)-3-(2-ethoxyethyl)imidazo[4,5-b]pyridine
CID 19911562
3-(2-methoxyethyl)-2-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]imidazo[4,5-b]pyridine
CID 20955418
2-[4-[[3-(2-ethoxyethyl)imidazo[4,5-b]pyridin-2-yl]methyl]piperazin-1-yl]acetonitrile
CID 19911521
2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 79294892
2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine
CID 117159722
2-(2,2-dimethylpropyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 117166070
2-[3-(azepan-1-yl)propyl]-1-[2-(4-methoxyphenoxy)ethyl]benzimidazole
CID 18885665
2-[3-(azepan-1-yl)propyl]-1-[2-(2-methylphenoxy)ethyl]benzimidazole
CID 18885649
2-[(4-methylpiperazin-1-yl)methyl]-3-(2-prop-2-ynoxyethyl)imidazo[4,5-b]pyridine
CID 19911550
2-ethyl-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117165576

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine (CID 14855700) is 3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine is CCOCCn1c(CCCN2CCCCC2)nc2cccnc21.
What is the InChIKey of 3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine?
The InChIKey is PHYYRJYLDBHAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O/c1-2-23-15-14-22-17(20-16-8-6-10-19-18(16)22)9-7-13-21-11-4-3-5-12-21/h6,8,10H,2-5,7,9,11-15H2,1H3.
What are the key properties of 3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine?
3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine has a molecular weight of 316.45 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyethyl)-2-(3-piperidin-1-ylpropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 14855700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).