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

C15H21N3O2 — CID 117159635

IUPAC2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCOCCCc1nc2cccnc2n1CC1CCCO1
InChIInChI=1S/C15H21N3O2/c1-19-9-4-7-14-17-13-6-2-8-16-15(13)18(14)11-12-5-3-10-20-12/h2,6,8,12H,3-5,7,9-11H2,1H3
InChIKeyQNPOOVAIKXLRBI-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.19
Rot. Bonds6

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

2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117159635) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117159635
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCOCCCc1nc2cccnc2n1CC1CCCO1
InChIInChI=1S/C15H21N3O2/c1-19-9-4-7-14-17-13-6-2-8-16-15(13)18(14)11-12-5-3-10-20-12/h2,6,8,12H,3-5,7,9-11H2,1H3
InChIKeyQNPOOVAIKXLRBI-UHFFFAOYSA-N
XLogP2.19
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.19
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-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159634
2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117165795
2-(3-methoxypropyl)-3-propylimidazo[4,5-b]pyridine
CID 117159722
3-(oxolan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161594
3-(2-methoxyethyl)-2-[3-[3-(2-methoxyethyl)imidazo[4,5-b]pyridin-2-yl]propyl]imidazo[4,5-b]pyridine
CID 20955418
3-(oxan-2-ylmethyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161600
2-(2-methoxyethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117159839
3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289014
2-[[2-(2-methoxyethyl)imidazo[4,5-b]pyridin-3-yl]methyl]thiolane 1,1-dioxide
CID 117159890
3-[(2-chlorophenyl)methyl]-2-(3-methoxypropyl)imidazo[4,5-b]pyridine
CID 117159702
2-(oxolan-2-ylmethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117163243
3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163742

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117159635) is 2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine is COCCCc1nc2cccnc2n1CC1CCCO1.
What is the InChIKey of 2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is QNPOOVAIKXLRBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-19-9-4-7-14-17-13-6-2-8-16-15(13)18(14)11-12-5-3-10-20-12/h2,6,8,12H,3-5,7,9-11H2,1H3.
What are the key properties of 2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine?
2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 275.35 g/mol, XLogP of 2.19, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117159635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).