3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol

C14H19N3O2 — CID 117159634

IUPAC3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
SMILESOCCCc1nc2cccnc2n1CC1CCCO1
InChIInChI=1S/C14H19N3O2/c18-8-2-6-13-16-12-5-1-7-15-14(12)17(13)10-11-4-3-9-19-11/h1,5,7,11,18H,2-4,6,8-10H2
InChIKeyVGDFQSZBIYFJOB-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.54
Rot. Bonds5

About 3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol

3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol (PubChem CID 117159634) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
PubChem CID117159634
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
SMILESOCCCc1nc2cccnc2n1CC1CCCO1
InChIInChI=1S/C14H19N3O2/c18-8-2-6-13-16-12-5-1-7-15-14(12)17(13)10-11-4-3-9-19-11/h1,5,7,11,18H,2-4,6,8-10H2
InChIKeyVGDFQSZBIYFJOB-UHFFFAOYSA-N
XLogP1.54
TPSA60.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxypropyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117159635
2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163159
3-(oxolan-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161594
2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117165795
3-(oxan-2-ylmethyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161600
3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289014
2-(oxolan-2-ylmethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117163243
3-[3-(oxan-4-yl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159557
3-[3-(2-piperidin-1-ylethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159774
2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161927
3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163565
3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine
CID 50877230

Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol?
The IUPAC name of 3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol (CID 117159634) is 3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol?
The canonical SMILES for 3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol is OCCCc1nc2cccnc2n1CC1CCCO1.
What is the InChIKey of 3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol?
The InChIKey is VGDFQSZBIYFJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c18-8-2-6-13-16-12-5-1-7-15-14(12)17(13)10-11-4-3-9-19-11/h1,5,7,11,18H,2-4,6,8-10H2.
What are the key properties of 3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol?
3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol has a molecular weight of 261.32 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol is sourced from PubChem (CID 117159634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).