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

C19H22N4 — CID 117164076

IUPAC3-(2-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1ccccc1-n1c(CC2CCCNC2)nc2cccnc21
InChIInChI=1S/C19H22N4/c1-14-6-2-3-9-17(14)23-18(12-15-7-4-10-20-13-15)22-16-8-5-11-21-19(16)23/h2-3,5-6,8-9,11,15,20H,4,7,10,12-13H2,1H3
InChIKeyJNKFIIWXSFPTCU-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.27
Rot. Bonds3

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

3-(2-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117164076) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117164076
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name3-(2-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1ccccc1-n1c(CC2CCCNC2)nc2cccnc21
InChIInChI=1S/C19H22N4/c1-14-6-2-3-9-17(14)23-18(12-15-7-4-10-20-13-15)22-16-8-5-11-21-19(16)23/h2-3,5-6,8-9,11,15,20H,4,7,10,12-13H2,1H3
InChIKeyJNKFIIWXSFPTCU-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-(4-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164082
3-(2-methoxyphenyl)-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161401
3-(2-methylphenyl)-2-(piperidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163804
3-(2-methoxyethyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163871
2-(chloromethyl)-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 79295003
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
2-(2,2-dimethylpropyl)-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117165834
3-(2-fluorophenyl)-2-[(1-methylpyrrolidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117161399
3-[(3-methyl-2-pyridinyl)methyl]azepane
CID 104680698
3-(3-methylphenyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161687

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(2-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117164076) is 3-(2-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine is Cc1ccccc1-n1c(CC2CCCNC2)nc2cccnc21.
What is the InChIKey of 3-(2-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is JNKFIIWXSFPTCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-6-2-3-9-17(14)23-18(12-15-7-4-10-20-13-15)22-16-8-5-11-21-19(16)23/h2-3,5-6,8-9,11,15,20H,4,7,10,12-13H2,1H3.
What are the key properties of 3-(2-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine?
3-(2-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-(2-methylphenyl)-2-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117164076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).