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

C15H21N3O — CID 117165741

IUPAC2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine
SMILESCC(C)Cc1nc2cccnc2n1C1CCCCO1
InChIInChI=1S/C15H21N3O/c1-11(2)10-13-17-12-6-5-8-16-15(12)18(13)14-7-3-4-9-19-14/h5-6,8,11,14H,3-4,7,9-10H2,1-2H3
InChIKeyZPLTUEPRVPMENK-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.33
Rot. Bonds3

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

2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117165741) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine
PubChem CID117165741
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine
SMILESCC(C)Cc1nc2cccnc2n1C1CCCCO1
InChIInChI=1S/C15H21N3O/c1-11(2)10-13-17-12-6-5-8-16-15(12)18(13)14-7-3-4-9-19-14/h5-6,8,11,14H,3-4,7,9-10H2,1-2H3
InChIKeyZPLTUEPRVPMENK-UHFFFAOYSA-N
XLogP3.33
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropyl)-3-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117165795
2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117165228
2-[(1-methylpyrrolidin-3-yl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117161203
3-(oxan-2-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163310
3-(oxolan-2-yl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163296
3-(1-methylpiperidin-4-yl)-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165622
3-(oxan-2-yl)-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163961
3-(oxan-2-yl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162355
2-(2-methylpropyl)-3-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117165662
2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine
CID 117163778
3-[2-(2-methylpropyl)imidazo[4,5-b]pyridin-3-yl]thiolane 1,1-dioxide
CID 117165589
3-(oxolan-2-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163279

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine (CID 117165741) is 2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine is CC(C)Cc1nc2cccnc2n1C1CCCCO1.
What is the InChIKey of 2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is ZPLTUEPRVPMENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-11(2)10-13-17-12-6-5-8-16-15(12)18(13)14-7-3-4-9-19-14/h5-6,8,11,14H,3-4,7,9-10H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine?
2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 259.35 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).