2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine

C16H16N4S — CID 117164787

IUPAC2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1ccc(-c2nc3cccnc3n2CC2CCSC2)nc1
InChIInChI=1S/C16H16N4S/c1-2-7-17-13(4-1)16-19-14-5-3-8-18-15(14)20(16)10-12-6-9-21-11-12/h1-5,7-8,12H,6,9-11H2
InChIKeyFBKYUIOJYMJCCI-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.25
Rot. Bonds3

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

2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117164787) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117164787
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1ccc(-c2nc3cccnc3n2CC2CCSC2)nc1
InChIInChI=1S/C16H16N4S/c1-2-7-17-13(4-1)16-19-14-5-3-8-18-15(14)20(16)10-12-6-9-21-11-12/h1-5,7-8,12H,6,9-11H2
InChIKeyFBKYUIOJYMJCCI-UHFFFAOYSA-N
XLogP3.25
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(furan-2-yl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164214
3-(oxolan-3-ylmethyl)-2-pyridin-2-ylimidazo[4,5-b]pyridine
CID 117164786
2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159822
2-[3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridin-2-yl]sulfanylacetic acid
CID 107297120
2-(piperidin-2-ylmethyl)-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163643
2-pyrrolidin-2-yl-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162436
2-[(1-methylpyrrolidin-2-yl)methyl]-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117163233
2-(2-methylpropyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117165668
2-(oxan-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162932
2-(pyrrolidin-3-ylmethyl)-3-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161141
2-(1-methylpyrrolidin-2-yl)-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162437
2-(5-methylthiophen-2-yl)-3-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117164249

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine (CID 117164787) is 2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine is c1ccc(-c2nc3cccnc3n2CC2CCSC2)nc1.
What is the InChIKey of 2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is FBKYUIOJYMJCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-2-7-17-13(4-1)16-19-14-5-3-8-18-15(14)20(16)10-12-6-9-21-11-12/h1-5,7-8,12H,6,9-11H2.
What are the key properties of 2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine?
2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 296.40 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-yl-3-(thiolan-3-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117164787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).