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

C21H14N2OS — CID 53375781

IUPAC4-pyridin-2-yl-2-thiophen-3-yl-5H-chromeno[4,3-b]pyridine
SMILESc1ccc(-c2cc(-c3ccsc3)nc3c2COc2ccccc2-3)nc1
InChIInChI=1S/C21H14N2OS/c1-2-7-20-15(5-1)21-17(12-24-20)16(18-6-3-4-9-22-18)11-19(23-21)14-8-10-25-13-14/h1-11,13H,12H2
InChIKeyUFCOCIYXDHVFBG-UHFFFAOYSA-N
MW342.42 g/mol
LogP5.43
Rot. Bonds2

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

4-pyridin-2-yl-2-thiophen-3-yl-5H-chromeno[4,3-b]pyridine (PubChem CID 53375781) has the molecular formula C21H14N2OS and a molecular weight of 342.42 g/mol. Its IUPAC name is 4-pyridin-2-yl-2-thiophen-3-yl-5H-chromeno[4,3-b]pyridine.

Molecular Properties

Compound Name4-pyridin-2-yl-2-thiophen-3-yl-5H-chromeno[4,3-b]pyridine
PubChem CID53375781
Molecular FormulaC21H14N2OS
Molecular Weight342.42 g/mol
Exact Mass342.08
IUPAC Name4-pyridin-2-yl-2-thiophen-3-yl-5H-chromeno[4,3-b]pyridine
SMILESc1ccc(-c2cc(-c3ccsc3)nc3c2COc2ccccc2-3)nc1
InChIInChI=1S/C21H14N2OS/c1-2-7-20-15(5-1)21-17(12-24-20)16(18-6-3-4-9-22-18)11-19(23-21)14-8-10-25-13-14/h1-11,13H,12H2
InChIKeyUFCOCIYXDHVFBG-UHFFFAOYSA-N
XLogP5.43
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.42
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-pyridin-2-yl-2-thiophen-3-yl-5H-chromeno[4,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-2-thiophen-3-yl-5H-chromeno[4,3-b]pyridine?
The IUPAC name of 4-pyridin-2-yl-2-thiophen-3-yl-5H-chromeno[4,3-b]pyridine (CID 53375781) is 4-pyridin-2-yl-2-thiophen-3-yl-5H-chromeno[4,3-b]pyridine.
What is the SMILES notation for 4-pyridin-2-yl-2-thiophen-3-yl-5H-chromeno[4,3-b]pyridine?
The canonical SMILES for 4-pyridin-2-yl-2-thiophen-3-yl-5H-chromeno[4,3-b]pyridine is c1ccc(-c2cc(-c3ccsc3)nc3c2COc2ccccc2-3)nc1.
What is the InChIKey of 4-pyridin-2-yl-2-thiophen-3-yl-5H-chromeno[4,3-b]pyridine?
The InChIKey is UFCOCIYXDHVFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2OS/c1-2-7-20-15(5-1)21-17(12-24-20)16(18-6-3-4-9-22-18)11-19(23-21)14-8-10-25-13-14/h1-11,13H,12H2.
What are the key properties of 4-pyridin-2-yl-2-thiophen-3-yl-5H-chromeno[4,3-b]pyridine?
4-pyridin-2-yl-2-thiophen-3-yl-5H-chromeno[4,3-b]pyridine has a molecular weight of 342.42 g/mol, XLogP of 5.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-2-thiophen-3-yl-5H-chromeno[4,3-b]pyridine is sourced from PubChem (CID 53375781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).