5-ethyl-7-(8-fluorocinnolin-3-yl)-5-methyl-4H-thieno[2,3-c]pyridine

C18H16FN3S — CID 135153594

IUPAC5-ethyl-7-(8-fluorocinnolin-3-yl)-5-methyl-4H-thieno[2,3-c]pyridine
SMILESCCC1(C)Cc2ccsc2C(c2cc3cccc(F)c3nn2)=N1
InChIInChI=1S/C18H16FN3S/c1-3-18(2)10-12-7-8-23-17(12)16(20-18)14-9-11-5-4-6-13(19)15(11)22-21-14/h4-9H,3,10H2,1-2H3
InChIKeyQCRDGGQJTHFSAF-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.39
Rot. Bonds2

About 5-ethyl-7-(8-fluorocinnolin-3-yl)-5-methyl-4H-thieno[2,3-c]pyridine

5-ethyl-7-(8-fluorocinnolin-3-yl)-5-methyl-4H-thieno[2,3-c]pyridine (PubChem CID 135153594) has the molecular formula C18H16FN3S and a molecular weight of 325.41 g/mol. Its IUPAC name is 5-ethyl-7-(8-fluorocinnolin-3-yl)-5-methyl-4H-thieno[2,3-c]pyridine.

Molecular Properties

Compound Name5-ethyl-7-(8-fluorocinnolin-3-yl)-5-methyl-4H-thieno[2,3-c]pyridine
PubChem CID135153594
Molecular FormulaC18H16FN3S
Molecular Weight325.41 g/mol
Exact Mass325.10
IUPAC Name5-ethyl-7-(8-fluorocinnolin-3-yl)-5-methyl-4H-thieno[2,3-c]pyridine
SMILESCCC1(C)Cc2ccsc2C(c2cc3cccc(F)c3nn2)=N1
InChIInChI=1S/C18H16FN3S/c1-3-18(2)10-12-7-8-23-17(12)16(20-18)14-9-11-5-4-6-13(19)15(11)22-21-14/h4-9H,3,10H2,1-2H3
InChIKeyQCRDGGQJTHFSAF-UHFFFAOYSA-N
XLogP4.39
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-7-(8-fluorocinnolin-3-yl)-5-methyl-4H-thieno[2,3-c]pyridine?
The IUPAC name of 5-ethyl-7-(8-fluorocinnolin-3-yl)-5-methyl-4H-thieno[2,3-c]pyridine (CID 135153594) is 5-ethyl-7-(8-fluorocinnolin-3-yl)-5-methyl-4H-thieno[2,3-c]pyridine.
What is the SMILES notation for 5-ethyl-7-(8-fluorocinnolin-3-yl)-5-methyl-4H-thieno[2,3-c]pyridine?
The canonical SMILES for 5-ethyl-7-(8-fluorocinnolin-3-yl)-5-methyl-4H-thieno[2,3-c]pyridine is CCC1(C)Cc2ccsc2C(c2cc3cccc(F)c3nn2)=N1.
What is the InChIKey of 5-ethyl-7-(8-fluorocinnolin-3-yl)-5-methyl-4H-thieno[2,3-c]pyridine?
The InChIKey is QCRDGGQJTHFSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3S/c1-3-18(2)10-12-7-8-23-17(12)16(20-18)14-9-11-5-4-6-13(19)15(11)22-21-14/h4-9H,3,10H2,1-2H3.
What are the key properties of 5-ethyl-7-(8-fluorocinnolin-3-yl)-5-methyl-4H-thieno[2,3-c]pyridine?
5-ethyl-7-(8-fluorocinnolin-3-yl)-5-methyl-4H-thieno[2,3-c]pyridine has a molecular weight of 325.41 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-7-(8-fluorocinnolin-3-yl)-5-methyl-4H-thieno[2,3-c]pyridine is sourced from PubChem (CID 135153594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).