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

C19H21N3O — CID 117163403

IUPAC3-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1cccc(Cn2c(CC3CCCO3)nc3cccnc32)c1
InChIInChI=1S/C19H21N3O/c1-14-5-2-6-15(11-14)13-22-18(12-16-7-4-10-23-16)21-17-8-3-9-20-19(17)22/h2-3,5-6,8-9,11,16H,4,7,10,12-13H2,1H3
InChIKeyQMAGYCYQSAXOQS-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.51
Rot. Bonds4

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

3-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117163403) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117163403
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1cccc(Cn2c(CC3CCCO3)nc3cccnc32)c1
InChIInChI=1S/C19H21N3O/c1-14-5-2-6-15(11-14)13-22-18(12-16-7-4-10-23-16)21-17-8-3-9-20-19(17)22/h2-3,5-6,8-9,11,16H,4,7,10,12-13H2,1H3
InChIKeyQMAGYCYQSAXOQS-UHFFFAOYSA-N
XLogP3.51
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163742
3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163565
[3-[(3-methylphenyl)methyl]imidazo[4,5-b]pyridin-2-yl]methanamine
CID 53298848
2-[2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163159
3-[(3-methylphenyl)methyl]-2-(2-methylpropyl)imidazo[4,5-b]pyridine
CID 117165886
2-(oxolan-2-ylmethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117163243
3-(5-methylfuran-2-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163366
4-[[2-[(3-methylphenyl)methylsulfanyl]imidazo[4,5-b]pyridin-3-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 20908458
2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine
CID 117163778
3-(1-methylpiperidin-4-yl)-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163204
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163638
2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117166729

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117163403) is 3-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine is Cc1cccc(Cn2c(CC3CCCO3)nc3cccnc32)c1.
What is the InChIKey of 3-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is QMAGYCYQSAXOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-5-2-6-15(11-14)13-22-18(12-16-7-4-10-23-16)21-17-8-3-9-20-19(17)22/h2-3,5-6,8-9,11,16H,4,7,10,12-13H2,1H3.
What are the key properties of 3-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine?
3-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 307.40 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylphenyl)methyl]-2-(oxolan-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).