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

C16H22N4S — CID 117161851

IUPAC2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCCNC1)n2C1CCCSC1
InChIInChI=1S/C16H22N4S/c1-4-12(10-17-7-1)15-19-14-6-2-8-18-16(14)20(15)13-5-3-9-21-11-13/h2,6,8,12-13,17H,1,3-5,7,9-11H2
InChIKeyDGDRIQRXWIPLFV-UHFFFAOYSA-N
MW302.45 g/mol
LogP2.97
Rot. Bonds2

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

2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine (PubChem CID 117161851) has the molecular formula C16H22N4S and a molecular weight of 302.45 g/mol. Its IUPAC name is 2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine
PubChem CID117161851
Molecular FormulaC16H22N4S
Molecular Weight302.45 g/mol
Exact Mass302.16
IUPAC Name2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(C1CCCNC1)n2C1CCCSC1
InChIInChI=1S/C16H22N4S/c1-4-12(10-17-7-1)15-19-14-6-2-8-18-16(14)20(15)13-5-3-9-21-11-13/h2,6,8,12-13,17H,1,3-5,7,9-11H2
InChIKeyDGDRIQRXWIPLFV-UHFFFAOYSA-N
XLogP2.97
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylpiperidin-3-yl)-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161854
3-methyl-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 63757632
2-propyl-3-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117165693
3-(oxan-2-yl)-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161893
2-(oxan-2-yl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117162755
2-(pyrrolidin-2-ylmethyl)-3-(thiolan-3-yl)imidazo[4,5-b]pyridine
CID 117163186
3-cyclopentyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164099
3-[(1-methylpyrrolidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161921
3-cyclohexyl-2-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117164104
2-(thian-3-yl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117161914
2-pyrrolidin-2-yl-3-(thian-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117162436
3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161937

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine?
The IUPAC name of 2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine (CID 117161851) is 2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine?
The canonical SMILES for 2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(C1CCCNC1)n2C1CCCSC1.
What is the InChIKey of 2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine?
The InChIKey is DGDRIQRXWIPLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4S/c1-4-12(10-17-7-1)15-19-14-6-2-8-18-16(14)20(15)13-5-3-9-21-11-13/h2,6,8,12-13,17H,1,3-5,7,9-11H2.
What are the key properties of 2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine?
2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine has a molecular weight of 302.45 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-3-(thian-3-yl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117161851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).