2-(5-chlorothiophen-2-yl)-3-piperidin-2-ylimidazo[4,5-b]pyridine

C15H15ClN4S — CID 117164334

IUPAC2-(5-chlorothiophen-2-yl)-3-piperidin-2-ylimidazo[4,5-b]pyridine
SMILESClc1ccc(-c2nc3cccnc3n2C2CCCCN2)s1
InChIInChI=1S/C15H15ClN4S/c16-12-7-6-11(21-12)15-19-10-4-3-9-18-14(10)20(15)13-5-1-2-8-17-13/h3-4,6-7,9,13,17H,1-2,5,8H2
InChIKeyCAPNJCVKAYIABT-UHFFFAOYSA-N
MW318.83 g/mol
LogP4.09
Rot. Bonds2

About 2-(5-chlorothiophen-2-yl)-3-piperidin-2-ylimidazo[4,5-b]pyridine

2-(5-chlorothiophen-2-yl)-3-piperidin-2-ylimidazo[4,5-b]pyridine (PubChem CID 117164334) has the molecular formula C15H15ClN4S and a molecular weight of 318.83 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-3-piperidin-2-ylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-3-piperidin-2-ylimidazo[4,5-b]pyridine
PubChem CID117164334
Molecular FormulaC15H15ClN4S
Molecular Weight318.83 g/mol
Exact Mass318.07
IUPAC Name2-(5-chlorothiophen-2-yl)-3-piperidin-2-ylimidazo[4,5-b]pyridine
SMILESClc1ccc(-c2nc3cccnc3n2C2CCCCN2)s1
InChIInChI=1S/C15H15ClN4S/c16-12-7-6-11(21-12)15-19-10-4-3-9-18-14(10)20(15)13-5-1-2-8-17-13/h3-4,6-7,9,13,17H,1-2,5,8H2
InChIKeyCAPNJCVKAYIABT-UHFFFAOYSA-N
XLogP4.09
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.83
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-piperidin-2-yl-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164809
2-(5-chlorothiophen-2-yl)-3-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117164361
2-ethyl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117165723
2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117166385
3-piperidin-2-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163688
2-chloro-3-cyclopentylimidazo[4,5-b]pyridine
CID 102139378
2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117165419
3-pyrrolidin-2-yl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163944
2-(1-methylpyrrolidin-2-yl)-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117162334
3-(1-methylpiperidin-3-yl)-2-(5-methylthiophen-2-yl)imidazo[4,5-b]pyridine
CID 117164272
3-pyrrolidin-2-yl-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161180
3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117166161

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-3-piperidin-2-ylimidazo[4,5-b]pyridine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-3-piperidin-2-ylimidazo[4,5-b]pyridine (CID 117164334) is 2-(5-chlorothiophen-2-yl)-3-piperidin-2-ylimidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-3-piperidin-2-ylimidazo[4,5-b]pyridine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-3-piperidin-2-ylimidazo[4,5-b]pyridine is Clc1ccc(-c2nc3cccnc3n2C2CCCCN2)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-3-piperidin-2-ylimidazo[4,5-b]pyridine?
The InChIKey is CAPNJCVKAYIABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4S/c16-12-7-6-11(21-12)15-19-10-4-3-9-18-14(10)20(15)13-5-1-2-8-17-13/h3-4,6-7,9,13,17H,1-2,5,8H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-3-piperidin-2-ylimidazo[4,5-b]pyridine?
2-(5-chlorothiophen-2-yl)-3-piperidin-2-ylimidazo[4,5-b]pyridine has a molecular weight of 318.83 g/mol, XLogP of 4.09, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-3-piperidin-2-ylimidazo[4,5-b]pyridine is sourced from PubChem (CID 117164334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).