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

C19H21N3O — CID 117165228

IUPAC2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine
SMILESCc1ccccc1Cc1nc2cccnc2n1C1CCCCO1
InChIInChI=1S/C19H21N3O/c1-14-7-2-3-8-15(14)13-17-21-16-9-6-11-20-19(16)22(17)18-10-4-5-12-23-18/h2-3,6-9,11,18H,4-5,10,12-13H2,1H3
InChIKeyAWLZDZLPYNIAQA-UHFFFAOYSA-N
MW307.40 g/mol
LogP4.03
Rot. Bonds3

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

2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117165228) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine
PubChem CID117165228
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine
SMILESCc1ccccc1Cc1nc2cccnc2n1C1CCCCO1
InChIInChI=1S/C19H21N3O/c1-14-7-2-3-8-15(14)13-17-21-16-9-6-11-20-19(16)22(17)18-10-4-5-12-23-18/h2-3,6-9,11,18H,4-5,10,12-13H2,1H3
InChIKeyAWLZDZLPYNIAQA-UHFFFAOYSA-N
XLogP4.03
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylpropyl)-3-(oxan-2-yl)imidazo[4,5-b]pyridine
CID 117165741
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-(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
3-(oxolan-2-yl)-2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163296
3-ethyl-2-(oxan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163742
2-(1-methylpiperidin-2-yl)-3-(oxolan-2-yl)imidazo[4,5-b]pyridine
CID 117162863
3-(oxolan-2-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163279
2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117165359
2-(oxan-2-ylmethyl)-3-propan-2-ylimidazo[4,5-b]pyridine
CID 117163778
2-[(2-fluorophenyl)methyl]-3-(oxolan-3-yl)imidazo[4,5-b]pyridine
CID 117165182

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine (CID 117165228) is 2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine is Cc1ccccc1Cc1nc2cccnc2n1C1CCCCO1.
What is the InChIKey of 2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is AWLZDZLPYNIAQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-7-2-3-8-15(14)13-17-21-16-9-6-11-20-19(16)22(17)18-10-4-5-12-23-18/h2-3,6-9,11,18H,4-5,10,12-13H2,1H3.
What are the key properties of 2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine?
2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 307.40 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methyl]-3-(oxan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117165228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).