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

C17H18N4S — CID 117163850

IUPAC3-pyridin-4-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCCS1)n2-c1ccncc1
InChIInChI=1S/C17H18N4S/c1-2-11-22-14(4-1)12-16-20-15-5-3-8-19-17(15)21(16)13-6-9-18-10-7-13/h3,5-10,14H,1-2,4,11-12H2
InChIKeyKMCAYSUSBJSZNT-UHFFFAOYSA-N
MW310.43 g/mol
LogP3.64
Rot. Bonds3

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

3-pyridin-4-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine (PubChem CID 117163850) has the molecular formula C17H18N4S and a molecular weight of 310.43 g/mol. Its IUPAC name is 3-pyridin-4-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-pyridin-4-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
PubChem CID117163850
Molecular FormulaC17H18N4S
Molecular Weight310.43 g/mol
Exact Mass310.13
IUPAC Name3-pyridin-4-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
SMILESc1cnc2c(c1)nc(CC1CCCCS1)n2-c1ccncc1
InChIInChI=1S/C17H18N4S/c1-2-11-22-14(4-1)12-16-20-15-5-3-8-19-17(15)21(16)13-6-9-18-10-7-13/h3,5-10,14H,1-2,4,11-12H2
InChIKeyKMCAYSUSBJSZNT-UHFFFAOYSA-N
XLogP3.64
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(furan-2-yl)-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163720
3-pyridin-4-yl-2-(thian-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161736
3-piperidin-2-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163688
N,N-dimethyl-2-[2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]ethanamine
CID 117163560
3-(oxolan-2-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163279
3-(1-methylpiperidin-3-yl)-2-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163261
2-(2-methylpropyl)-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117166087
2-(oxan-2-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163696
3-(thiolan-2-ylmethyl)-2-thiophen-2-ylimidazo[4,5-b]pyridine
CID 117164349
2-[(2-methylphenyl)methyl]-3-pyridin-4-ylimidazo[4,5-b]pyridine
CID 117165359
2-[3-(thian-2-yl)imidazo[4,5-b]pyridin-2-yl]ethanol
CID 117159877
2-(oxan-3-ylmethyl)-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117163970

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine?
The IUPAC name of 3-pyridin-4-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine (CID 117163850) is 3-pyridin-4-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-pyridin-4-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine?
The canonical SMILES for 3-pyridin-4-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine is c1cnc2c(c1)nc(CC1CCCCS1)n2-c1ccncc1.
What is the InChIKey of 3-pyridin-4-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine?
The InChIKey is KMCAYSUSBJSZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4S/c1-2-11-22-14(4-1)12-16-20-15-5-3-8-19-17(15)21(16)13-6-9-18-10-7-13/h3,5-10,14H,1-2,4,11-12H2.
What are the key properties of 3-pyridin-4-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine?
3-pyridin-4-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine has a molecular weight of 310.43 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-yl-2-(thian-2-ylmethyl)imidazo[4,5-b]pyridine is sourced from PubChem (CID 117163850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).