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

C19H22N4 — CID 117164082

IUPAC3-(4-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(CC3CCCNC3)nc3cccnc32)cc1
InChIInChI=1S/C19H22N4/c1-14-6-8-16(9-7-14)23-18(12-15-4-2-10-20-13-15)22-17-5-3-11-21-19(17)23/h3,5-9,11,15,20H,2,4,10,12-13H2,1H3
InChIKeyZZCXZABMMOGYBM-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.27
Rot. Bonds3

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

3-(4-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117164082) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(4-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(4-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117164082
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name3-(4-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-n2c(CC3CCCNC3)nc3cccnc32)cc1
InChIInChI=1S/C19H22N4/c1-14-6-8-16(9-7-14)23-18(12-15-4-2-10-20-13-15)22-17-5-3-11-21-19(17)23/h3,5-9,11,15,20H,2,4,10,12-13H2,1H3
InChIKeyZZCXZABMMOGYBM-UHFFFAOYSA-N
XLogP3.27
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164076
3-(4-methylphenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161696
3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163871
3-(3-methylphenyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161687
3-(4-methylphenyl)-2-(piperazin-1-ylmethyl)imidazo[4,5-b]pyridine
CID 53299080
3-(2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161401
2-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine;hydrochloride
CID 135563633
3-pyrrolidin-2-yl-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161180
2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161555
3-(4-methylphenyl)-2-[[3-(4-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methoxymethyl]imidazo[4,5-b]pyridine
CID 20955885
3-(4-fluorophenyl)-2-(oxan-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161697
2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117165834

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(4-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117164082) is 3-(4-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(4-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(4-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine is Cc1ccc(-n2c(CC3CCCNC3)nc3cccnc32)cc1.
What is the InChIKey of 3-(4-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is ZZCXZABMMOGYBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-6-8-16(9-7-14)23-18(12-15-4-2-10-20-13-15)22-17-5-3-11-21-19(17)23/h3,5-9,11,15,20H,2,4,10,12-13H2,1H3.
What are the key properties of 3-(4-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
3-(4-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 306.41 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117164082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).