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

C19H22N4 — CID 117163804

IUPAC3-(2-methylphenyl)-2-(piperidin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1ccccc1-n1c(CC2CCCCN2)nc2cccnc21
InChIInChI=1S/C19H22N4/c1-14-7-2-3-10-17(14)23-18(13-15-8-4-5-11-20-15)22-16-9-6-12-21-19(16)23/h2-3,6-7,9-10,12,15,20H,4-5,8,11,13H2,1H3
InChIKeyUJVLHOTUQKKVDN-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.41
Rot. Bonds3

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

3-(2-methylphenyl)-2-(piperidin-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117163804) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-(2-methylphenyl)-2-(piperidin-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(2-methylphenyl)-2-(piperidin-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117163804
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name3-(2-methylphenyl)-2-(piperidin-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1ccccc1-n1c(CC2CCCCN2)nc2cccnc21
InChIInChI=1S/C19H22N4/c1-14-7-2-3-10-17(14)23-18(13-15-8-4-5-11-20-15)22-16-9-6-12-21-19(16)23/h2-3,6-7,9-10,12,15,20H,4-5,8,11,13H2,1H3
InChIKeyUJVLHOTUQKKVDN-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
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
2-(chloromethyl)-3-(2-methylphenyl)imidazo[4,5-b]pyridine
CID 79295003
3-(oxan-2-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163310
3-[(2-fluorophenyl)methyl]-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163416
3-methyl-2-(piperidin-2-ylmethyl)pyridine
CID 4715233
3-(1-methylpiperidin-4-yl)-2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163215
2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163643
4-[[2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117163423
3-(piperidin-2-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161603
2-(azepan-2-ylmethyl)-1-methylbenzimidazole
CID 79750642
2-(pyrrolidin-2-ylmethyl)-3-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163234
2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117163186

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenyl)-2-(piperidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-(2-methylphenyl)-2-(piperidin-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117163804) is 3-(2-methylphenyl)-2-(piperidin-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(2-methylphenyl)-2-(piperidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(2-methylphenyl)-2-(piperidin-2-ylmethyl)imidazo[4,5-b]pyridine is Cc1ccccc1-n1c(CC2CCCCN2)nc2cccnc21.
What is the InChIKey of 3-(2-methylphenyl)-2-(piperidin-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is UJVLHOTUQKKVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-7-2-3-10-17(14)23-18(13-15-8-4-5-11-20-15)22-16-9-6-12-21-19(16)23/h2-3,6-7,9-10,12,15,20H,4-5,8,11,13H2,1H3.
What are the key properties of 3-(2-methylphenyl)-2-(piperidin-2-ylmethyl)imidazo[4,5-b]pyridine?
3-(2-methylphenyl)-2-(piperidin-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 306.41 g/mol, XLogP of 3.41, 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-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).