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

C17H24N4S — CID 117162433

IUPAC3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESCN1CCCC(Cn2c(C3CCCS3)nc3cccnc32)C1
InChIInChI=1S/C17H24N4S/c1-20-9-3-5-13(11-20)12-21-16-14(6-2-8-18-16)19-17(21)15-7-4-10-22-15/h2,6,8,13,15H,3-5,7,9-12H2,1H3
InChIKeyUXJBPZUAAWQKFE-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.34
Rot. Bonds3

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

3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine (PubChem CID 117162433) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
PubChem CID117162433
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
SMILESCN1CCCC(Cn2c(C3CCCS3)nc3cccnc32)C1
InChIInChI=1S/C17H24N4S/c1-20-9-3-5-13(11-20)12-21-16-14(6-2-8-18-16)19-17(21)15-7-4-10-22-15/h2,6,8,13,15H,3-5,7,9-12H2,1H3
InChIKeyUXJBPZUAAWQKFE-UHFFFAOYSA-N
XLogP3.34
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 ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-propyl-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162552
3-[(1-methylpyrrolidin-2-yl)methyl]-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162907
3-(oxan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162430
2-[2-(thiolan-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanol
CID 117162166
3-(oxolan-3-ylmethyl)-2-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117162242
2-(chloromethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79294526
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161816
N,N-dimethyl-2-[2-(thian-2-yl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117163129
3-(pyrrolidin-3-ylmethyl)-2-(thian-2-yl)imidazo[4,5-b]pyridine
CID 117162806
2-(2-chloroethyl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 79294596
2-(furan-2-yl)-3-[(1-methylpiperidin-3-yl)methyl]imidazo[4,5-b]pyridine
CID 117164392
2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162437

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine (CID 117162433) is 3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine is CN1CCCC(Cn2c(C3CCCS3)nc3cccnc32)C1.
What is the InChIKey of 3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
The InChIKey is UXJBPZUAAWQKFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-20-9-3-5-13(11-20)12-21-16-14(6-2-8-18-16)19-17(21)15-7-4-10-22-15/h2,6,8,13,15H,3-5,7,9-12H2,1H3.
What are the key properties of 3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine?
3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine has a molecular weight of 316.47 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methylpiperidin-3-yl)methyl]-2-(thiolan-2-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117162433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).