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

C17H24N4S — CID 117163688

IUPAC3-piperidin-2-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCCS1)n2C1CCCCN1
InChIInChI=1S/C17H24N4S/c1-3-9-18-15(8-1)21-16(12-13-6-2-4-11-22-13)20-14-7-5-10-19-17(14)21/h5,7,10,13,15,18H,1-4,6,8-9,11-12H2
InChIKeyGVXLLWCKXZOWIU-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.53
Rot. Bonds3

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

3-piperidin-2-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117163688) has the molecular formula C17H24N4S and a molecular weight of 316.47 g/mol. Its IUPAC name is 3-piperidin-2-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-piperidin-2-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117163688
Molecular FormulaC17H24N4S
Molecular Weight316.47 g/mol
Exact Mass316.17
IUPAC Name3-piperidin-2-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCCS1)n2C1CCCCN1
InChIInChI=1S/C17H24N4S/c1-3-9-18-15(8-1)21-16(12-13-6-2-4-11-22-13)20-14-7-5-10-19-17(14)21/h5,7,10,13,15,18H,1-4,6,8-9,11-12H2
InChIKeyGVXLLWCKXZOWIU-UHFFFAOYSA-N
XLogP3.53
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-pyrrolidin-2-yl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163944
2-ethyl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117165723
3-(oxolan-2-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163279
3-pyrrolidin-2-yl-2-(pyrrolidin-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161180
3-pyridin-4-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163850
3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163261
3-piperidin-2-yl-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164809
3-(furan-2-yl)-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163720
2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117165419
N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117163560
2-(5-chlorothiophen-2-yl)-3-piperidin-2-ylimidazo[4,5-b]pyridine
CID 117164334
2-propan-2-yl-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117166385

Frequently Asked Questions

What is the IUPAC name of 3-piperidin-2-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-piperidin-2-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117163688) is 3-piperidin-2-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-piperidin-2-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-piperidin-2-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(CC1CCCCS1)n2C1CCCCN1.
What is the InChIKey of 3-piperidin-2-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is GVXLLWCKXZOWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4S/c1-3-9-18-15(8-1)21-16(12-13-6-2-4-11-22-13)20-14-7-5-10-19-17(14)21/h5,7,10,13,15,18H,1-4,6,8-9,11-12H2.
What are the key properties of 3-piperidin-2-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine?
3-piperidin-2-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 316.47 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-piperidin-2-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).