2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine

C17H23N3O2 — CID 117161927

IUPAC2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCCOC1)n2CC1CCCCO1
InChIInChI=1S/C17H23N3O2/c1-2-10-22-14(6-1)11-20-16(13-5-4-9-21-12-13)19-15-7-3-8-18-17(15)20/h3,7-8,13-14H,1-2,4-6,9-12H2
InChIKeyOKGGUAFMVDZDKI-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.89
Rot. Bonds3

About 2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine

2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117161927) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117161927
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCCOC1)n2CC1CCCCO1
InChIInChI=1S/C17H23N3O2/c1-2-10-22-14(6-1)11-20-16(13-5-4-9-21-12-13)19-15-7-3-8-18-17(15)20/h3,7-8,13-14H,1-2,4-6,9-12H2
InChIKeyOKGGUAFMVDZDKI-UHFFFAOYSA-N
XLogP2.89
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethyl-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117162008
3-(oxan-2-ylmethyl)-2-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117160304
2-(oxan-3-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161910
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161911
3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 79289014
3-[(1-ethylpyrrolidin-2-yl)methyl]-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161912
3-(oxan-2-ylmethyl)-2-piperidin-2-ylimidazo[4,5-b]pyridine
CID 117162925
3-(oxan-2-ylmethyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161600
2-(oxolan-3-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160160
2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117165795
3-(1-methylpiperidin-4-yl)-2-(oxan-3-yl)imidazo[4,5-b]pyridine
CID 117161793
3-[3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-2-yl]propan-1-ol
CID 117159634

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117161927) is 2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(C1CCCOC1)n2CC1CCCCO1.
What is the InChIKey of 2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is OKGGUAFMVDZDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-2-10-22-14(6-1)11-20-16(13-5-4-9-21-12-13)19-15-7-3-8-18-17(15)20/h3,7-8,13-14H,1-2,4-6,9-12H2.
What are the key properties of 2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine?
2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 301.39 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-3-yl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).