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

C14H19N3O2 — CID 117160038

IUPAC3-(3-methoxypropyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
SMILESCOCCCn1c(C2CCOC2)nc2cccnc21
InChIInChI=1S/C14H19N3O2/c1-18-8-3-7-17-13(11-5-9-19-10-11)16-12-4-2-6-15-14(12)17/h2,4,6,11H,3,5,7-10H2,1H3
InChIKeyRJSRVSANNLCUEI-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.97
Rot. Bonds5

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

3-(3-methoxypropyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117160038) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(3-methoxypropyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
PubChem CID117160038
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-(3-methoxypropyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
SMILESCOCCCn1c(C2CCOC2)nc2cccnc21
InChIInChI=1S/C14H19N3O2/c1-18-8-3-7-17-13(11-5-9-19-10-11)16-12-4-2-6-15-14(12)17/h2,4,6,11H,3,5,7-10H2,1H3
InChIKeyRJSRVSANNLCUEI-UHFFFAOYSA-N
XLogP1.97
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.97
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
2-(1-ethylpiperidin-3-yl)-3-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117161749
3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117162008
2-(oxolan-3-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160160
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161911
3-cyclopropyl-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160562
2-(1-methylpyrrolidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117160142
2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161927
2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161818
3-(2-methylphenyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117160516
3-(2-methoxyethyl)-2-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117162749
2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161910

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(3-methoxypropyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine (CID 117160038) is 3-(3-methoxypropyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(3-methoxypropyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(3-methoxypropyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine is COCCCn1c(C2CCOC2)nc2cccnc21.
What is the InChIKey of 3-(3-methoxypropyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is RJSRVSANNLCUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-18-8-3-7-17-13(11-5-9-19-10-11)16-12-4-2-6-15-14(12)17/h2,4,6,11H,3,5,7-10H2,1H3.
What are the key properties of 3-(3-methoxypropyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine?
3-(3-methoxypropyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 261.32 g/mol, XLogP of 1.97, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-2-(oxolan-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117160038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).