4-pyridin-2-yl-2-thiophen-3-yl-5H-indeno[1,2-b]pyridine

C21H14N2S — CID 118719744

IUPAC4-pyridin-2-yl-2-thiophen-3-yl-5H-indeno[1,2-b]pyridine
SMILESc1ccc(-c2cc(-c3ccsc3)nc3c2Cc2ccccc2-3)nc1
InChIInChI=1S/C21H14N2S/c1-2-6-16-14(5-1)11-18-17(19-7-3-4-9-22-19)12-20(23-21(16)18)15-8-10-24-13-15/h1-10,12-13H,11H2
InChIKeyOHJBBNVQIKPBBZ-UHFFFAOYSA-N
MW326.42 g/mol
LogP5.44
Rot. Bonds2

About 4-pyridin-2-yl-2-thiophen-3-yl-5H-indeno[1,2-b]pyridine

4-pyridin-2-yl-2-thiophen-3-yl-5H-indeno[1,2-b]pyridine (PubChem CID 118719744) has the molecular formula C21H14N2S and a molecular weight of 326.42 g/mol. Its IUPAC name is 4-pyridin-2-yl-2-thiophen-3-yl-5H-indeno[1,2-b]pyridine.

Molecular Properties

Compound Name4-pyridin-2-yl-2-thiophen-3-yl-5H-indeno[1,2-b]pyridine
PubChem CID118719744
Molecular FormulaC21H14N2S
Molecular Weight326.42 g/mol
Exact Mass326.09
IUPAC Name4-pyridin-2-yl-2-thiophen-3-yl-5H-indeno[1,2-b]pyridine
SMILESc1ccc(-c2cc(-c3ccsc3)nc3c2Cc2ccccc2-3)nc1
InChIInChI=1S/C21H14N2S/c1-2-6-16-14(5-1)11-18-17(19-7-3-4-9-22-19)12-20(23-21(16)18)15-8-10-24-13-15/h1-10,12-13H,11H2
InChIKeyOHJBBNVQIKPBBZ-UHFFFAOYSA-N
XLogP5.44
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.42
LogP ≤ 55.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-2-thiophen-3-yl-5H-indeno[1,2-b]pyridine?
The IUPAC name of 4-pyridin-2-yl-2-thiophen-3-yl-5H-indeno[1,2-b]pyridine (CID 118719744) is 4-pyridin-2-yl-2-thiophen-3-yl-5H-indeno[1,2-b]pyridine.
What is the SMILES notation for 4-pyridin-2-yl-2-thiophen-3-yl-5H-indeno[1,2-b]pyridine?
The canonical SMILES for 4-pyridin-2-yl-2-thiophen-3-yl-5H-indeno[1,2-b]pyridine is c1ccc(-c2cc(-c3ccsc3)nc3c2Cc2ccccc2-3)nc1.
What is the InChIKey of 4-pyridin-2-yl-2-thiophen-3-yl-5H-indeno[1,2-b]pyridine?
The InChIKey is OHJBBNVQIKPBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2S/c1-2-6-16-14(5-1)11-18-17(19-7-3-4-9-22-19)12-20(23-21(16)18)15-8-10-24-13-15/h1-10,12-13H,11H2.
What are the key properties of 4-pyridin-2-yl-2-thiophen-3-yl-5H-indeno[1,2-b]pyridine?
4-pyridin-2-yl-2-thiophen-3-yl-5H-indeno[1,2-b]pyridine has a molecular weight of 326.42 g/mol, XLogP of 5.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-2-thiophen-3-yl-5H-indeno[1,2-b]pyridine is sourced from PubChem (CID 118719744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).