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

C19H21N3O — CID 117161696

IUPAC3-(4-methylphenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(CC3CCOCC3)nc3cccnc32)cc1
InChIInChI=1S/C19H21N3O/c1-14-4-6-16(7-5-14)22-18(13-15-8-11-23-12-9-15)21-17-3-2-10-20-19(17)22/h2-7,10,15H,8-9,11-13H2,1H3
InChIKeyFCMPQATXARQXGD-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.70
Rot. Bonds3

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

3-(4-methylphenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117161696) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117161696
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name3-(4-methylphenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(CC3CCOCC3)nc3cccnc32)cc1
InChIInChI=1S/C19H21N3O/c1-14-4-6-16(7-5-14)22-18(13-15-8-11-23-12-9-15)21-17-3-2-10-20-19(17)22/h2-7,10,15H,8-9,11-13H2,1H3
InChIKeyFCMPQATXARQXGD-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161697
3-(4-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164082
3-(3-methoxyphenyl)-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161371
3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine
CID 20955885
3-(3-methylphenyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161687
3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161736
2-[(2-fluorophenyl)methyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 117165326
3-[2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117161472
3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161542
3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
CID 53299080
3-cyclobutyl-2-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161425
3-(oxan-2-ylmethyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161600

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(4-methylphenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine (CID 117161696) is 3-(4-methylphenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-methylphenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(4-methylphenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine is Cc1ccc(-n2c(CC3CCOCC3)nc3cccnc32)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is FCMPQATXARQXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-14-4-6-16(7-5-14)22-18(13-15-8-11-23-12-9-15)21-17-3-2-10-20-19(17)22/h2-7,10,15H,8-9,11-13H2,1H3.
What are the key properties of 3-(4-methylphenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine?
3-(4-methylphenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 307.40 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).