2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine

C17H26N4O — CID 117161749

IUPAC2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine
SMILESCCN1CCCC(c2nc3cccnc3n2CCCOC)C1
InChIInChI=1S/C17H26N4O/c1-3-20-10-5-7-14(13-20)16-19-15-8-4-9-18-17(15)21(16)11-6-12-22-2/h4,8-9,14H,3,5-7,10-13H2,1-2H3
InChIKeyFBDCZXJVCKARDC-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.67
Rot. Bonds6

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

2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine (PubChem CID 117161749) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine
PubChem CID117161749
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine
SMILESCCN1CCCC(c2nc3cccnc3n2CCCOC)C1
InChIInChI=1S/C17H26N4O/c1-3-20-10-5-7-14(13-20)16-19-15-8-4-9-18-17(15)21(16)11-6-12-22-2/h4,8-9,14H,3,5-7,10-13H2,1-2H3
InChIKeyFBDCZXJVCKARDC-UHFFFAOYSA-N
XLogP2.67
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.67
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

3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117160046
3-(3-methoxypropyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160038
2-(1-ethylpiperidin-3-yl)-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117161788
2-(1-ethylpiperidin-2-yl)-3-(2-methoxyethyl)imidazo[4,5-b]pyridine
CID 117162752
3-[(1-ethylpyrrolidin-3-yl)methyl]-2-(1-methylpyrrolidin-2-yl)imidazo[4,5-b]pyridine
CID 117162257
3-(2-methoxyethyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117162749
[(3S)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 95110214
3-cyclopentyl-1-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 53191211
bis((E)-but-2-enedioic acid);3-(2-ethoxyethyl)-2-[(3R)-1-methylpiperidin-3-yl]imidazo[4,5-b]pyridine
CID 67923199
(2-ethoxyphenyl)-[(3R)-3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone
CID 95110202
(2-ethoxyphenyl)-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]pyrrolidin-1-yl]methanone
CID 53191203
2-[2-(1-propan-2-ylpiperidin-3-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117161760

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine (CID 117161749) is 2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine is CCN1CCCC(c2nc3cccnc3n2CCCOC)C1.
What is the InChIKey of 2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine?
The InChIKey is FBDCZXJVCKARDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-3-20-10-5-7-14(13-20)16-19-15-8-4-9-18-17(15)21(16)11-6-12-22-2/h4,8-9,14H,3,5-7,10-13H2,1-2H3.
What are the key properties of 2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine?
2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine has a molecular weight of 302.42 g/mol, XLogP of 2.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).