4-(furan-2-yl)-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine

C20H13NO2S — CID 53375776

IUPAC4-(furan-2-yl)-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine
SMILESc1coc(-c2cc(-c3cccs3)nc3c2COc2ccccc2-3)c1
InChIInChI=1S/C20H13NO2S/c1-2-6-17-13(5-1)20-15(12-23-17)14(18-7-3-9-22-18)11-16(21-20)19-8-4-10-24-19/h1-11H,12H2
InChIKeyGNJGLGCFWTVKHY-UHFFFAOYSA-N
MW331.40 g/mol
LogP5.63
Rot. Bonds2

About 4-(furan-2-yl)-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine

4-(furan-2-yl)-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine (PubChem CID 53375776) has the molecular formula C20H13NO2S and a molecular weight of 331.40 g/mol. Its IUPAC name is 4-(furan-2-yl)-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine.

Molecular Properties

Compound Name4-(furan-2-yl)-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine
PubChem CID53375776
Molecular FormulaC20H13NO2S
Molecular Weight331.40 g/mol
Exact Mass331.07
IUPAC Name4-(furan-2-yl)-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine
SMILESc1coc(-c2cc(-c3cccs3)nc3c2COc2ccccc2-3)c1
InChIInChI=1S/C20H13NO2S/c1-2-6-17-13(5-1)20-15(12-23-17)14(18-7-3-9-22-18)11-16(21-20)19-8-4-10-24-19/h1-11H,12H2
InChIKeyGNJGLGCFWTVKHY-UHFFFAOYSA-N
XLogP5.63
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.40
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(furan-2-yl)-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine?
The IUPAC name of 4-(furan-2-yl)-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine (CID 53375776) is 4-(furan-2-yl)-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine.
What is the SMILES notation for 4-(furan-2-yl)-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine?
The canonical SMILES for 4-(furan-2-yl)-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine is c1coc(-c2cc(-c3cccs3)nc3c2COc2ccccc2-3)c1.
What is the InChIKey of 4-(furan-2-yl)-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine?
The InChIKey is GNJGLGCFWTVKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO2S/c1-2-6-17-13(5-1)20-15(12-23-17)14(18-7-3-9-22-18)11-16(21-20)19-8-4-10-24-19/h1-11H,12H2.
What are the key properties of 4-(furan-2-yl)-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine?
4-(furan-2-yl)-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine has a molecular weight of 331.40 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-2-yl)-2-thiophen-2-yl-5H-chromeno[4,3-b]pyridine is sourced from PubChem (CID 53375776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).