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

C17H20N4S — CID 117164249

IUPAC2-(5-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-c2nc3cccnc3n2CC2CCNCC2)s1
InChIInChI=1S/C17H20N4S/c1-12-4-5-15(22-12)17-20-14-3-2-8-19-16(14)21(17)11-13-6-9-18-10-7-13/h2-5,8,13,18H,6-7,9-11H2,1H3
InChIKeyLGKTTWZUGJGXKN-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.47
Rot. Bonds3

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

2-(5-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117164249) has the molecular formula C17H20N4S and a molecular weight of 312.44 g/mol. Its IUPAC name is 2-(5-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117164249
Molecular FormulaC17H20N4S
Molecular Weight312.44 g/mol
Exact Mass312.14
IUPAC Name2-(5-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
SMILESCc1ccc(-c2nc3cccnc3n2CC2CCNCC2)s1
InChIInChI=1S/C17H20N4S/c1-12-4-5-15(22-12)17-20-14-3-2-8-19-16(14)21(17)11-13-6-9-18-10-7-13/h2-5,8,13,18H,6-7,9-11H2,1H3
InChIKeyLGKTTWZUGJGXKN-UHFFFAOYSA-N
XLogP3.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117164361
2-(2-methoxyethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117159839
3-(2-methoxyethyl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine
CID 117164145
2-(oxan-4-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160721
2-(oxolan-3-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117160160
3-(oxan-4-ylmethyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161542
3-(5-methylthiophen-2-yl)-2-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117160861
2-(oxolan-2-ylmethyl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117163243
2-(pyrrolidin-3-ylmethyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161141
2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164787
3-(2,2-dimethylpropyl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161648
2-methyl-3-(piperidin-3-ylmethyl)imidazo[4,5-b]pyridine;hydrochloride
CID 135563633

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine (CID 117164249) is 2-(5-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine is Cc1ccc(-c2nc3cccnc3n2CC2CCNCC2)s1.
What is the InChIKey of 2-(5-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is LGKTTWZUGJGXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4S/c1-12-4-5-15(22-12)17-20-14-3-2-8-19-16(14)21(17)11-13-6-9-18-10-7-13/h2-5,8,13,18H,6-7,9-11H2,1H3.
What are the key properties of 2-(5-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine?
2-(5-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 312.44 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117164249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).