2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine

C17H24N4S — CID 117163675

IUPAC2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESCN1CCCCC1Cc1nc2cccnc2n1C1CCCS1
InChIInChI=1S/C17H24N4S/c1-20-10-3-2-6-13(20)12-15-19-14-7-4-9-18-17(14)21(15)16-8-5-11-22-16/h4,7,9,13,16H,2-3,5-6,8,10-12H2,1H3
InChIKeyFATPKLLLPHVCFN-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.48
Rot. Bonds3

About 2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine

2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117163675) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
PubChem CID117163675
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESCN1CCCCC1Cc1nc2cccnc2n1C1CCCS1
InChIInChI=1S/C17H24N4S/c1-20-10-3-2-6-13(20)12-15-19-14-7-4-9-18-17(14)21(15)16-8-5-11-22-16/h4,7,9,13,16H,2-3,5-6,8,10-12H2,1H3
InChIKeyFATPKLLLPHVCFN-UHFFFAOYSA-N
XLogP3.48
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-methylpyrrolidin-2-yl)methyl]-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117163216
3-(1-methylpyrrolidin-3-yl)-2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163191
2-[2-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163596
2-[3-(thian-2-yl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159877
2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117164957
2-[2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117163166
2-[(1-methylpyrrolidin-2-yl)methyl]-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163233
3-cyclopentyl-2-[(1-ethylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 117163544
3-[2-[(1-methylpyrrolidin-2-yl)methyl]imidazo[4,5-b]pyridin-3-yl]propan-1-ol
CID 117163152
2-ethyl-3-(1-methylpiperidin-2-yl)imidazo[4,5-b]pyridine
CID 117165751
2-(chloromethyl)-3-[(1-methylpiperidin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 79294737
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162907

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine (CID 117163675) is 2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine is CN1CCCCC1Cc1nc2cccnc2n1C1CCCS1.
What is the InChIKey of 2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is FATPKLLLPHVCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-20-10-3-2-6-13(20)12-15-19-14-7-4-9-18-17(14)21(15)16-8-5-11-22-16/h4,7,9,13,16H,2-3,5-6,8,10-12H2,1H3.
What are the key properties of 2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine?
2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 316.47 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methylpiperidin-2-yl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).