7-bromo-2-(2-ethyl-5-fluorononyl)-5-methylthieno[3,2-c]pyridin-4-one

C19H27BrFNOS — CID 123272724

IUPAC7-bromo-2-(2-ethyl-5-fluorononyl)-5-methylthieno[3,2-c]pyridin-4-one
SMILESCCCCC(F)CCC(CC)Cc1cc2c(=O)n(C)cc(Br)c2s1
InChIInChI=1S/C19H27BrFNOS/c1-4-6-7-14(21)9-8-13(5-2)10-15-11-16-18(24-15)17(20)12-22(3)19(16)23/h11-14H,4-10H2,1-3H3
InChIKeyMDIUHVYHXDPACK-UHFFFAOYSA-N
MW416.40 g/mol
LogP6.24
Rot. Bonds9

About 7-bromo-2-(2-ethyl-5-fluorononyl)-5-methylthieno[3,2-c]pyridin-4-one

7-bromo-2-(2-ethyl-5-fluorononyl)-5-methylthieno[3,2-c]pyridin-4-one (PubChem CID 123272724) has the molecular formula C19H27BrFNOS and a molecular weight of 416.40 g/mol. Its IUPAC name is 7-bromo-2-(2-ethyl-5-fluorononyl)-5-methylthieno[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name7-bromo-2-(2-ethyl-5-fluorononyl)-5-methylthieno[3,2-c]pyridin-4-one
PubChem CID123272724
Molecular FormulaC19H27BrFNOS
Molecular Weight416.40 g/mol
Exact Mass415.10
IUPAC Name7-bromo-2-(2-ethyl-5-fluorononyl)-5-methylthieno[3,2-c]pyridin-4-one
SMILESCCCCC(F)CCC(CC)Cc1cc2c(=O)n(C)cc(Br)c2s1
InChIInChI=1S/C19H27BrFNOS/c1-4-6-7-14(21)9-8-13(5-2)10-15-11-16-18(24-15)17(20)12-22(3)19(16)23/h11-14H,4-10H2,1-3H3
InChIKeyMDIUHVYHXDPACK-UHFFFAOYSA-N
XLogP6.24
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.40
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7-bromo-2-(2-ethyl-5-fluorononyl)-5-methylthieno[3,2-c]pyridin-4-one 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 7-bromo-2-(2-ethyl-5-fluorononyl)-5-methylthieno[3,2-c]pyridin-4-one?
The IUPAC name of 7-bromo-2-(2-ethyl-5-fluorononyl)-5-methylthieno[3,2-c]pyridin-4-one (CID 123272724) is 7-bromo-2-(2-ethyl-5-fluorononyl)-5-methylthieno[3,2-c]pyridin-4-one.
What is the SMILES notation for 7-bromo-2-(2-ethyl-5-fluorononyl)-5-methylthieno[3,2-c]pyridin-4-one?
The canonical SMILES for 7-bromo-2-(2-ethyl-5-fluorononyl)-5-methylthieno[3,2-c]pyridin-4-one is CCCCC(F)CCC(CC)Cc1cc2c(=O)n(C)cc(Br)c2s1.
What is the InChIKey of 7-bromo-2-(2-ethyl-5-fluorononyl)-5-methylthieno[3,2-c]pyridin-4-one?
The InChIKey is MDIUHVYHXDPACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27BrFNOS/c1-4-6-7-14(21)9-8-13(5-2)10-15-11-16-18(24-15)17(20)12-22(3)19(16)23/h11-14H,4-10H2,1-3H3.
What are the key properties of 7-bromo-2-(2-ethyl-5-fluorononyl)-5-methylthieno[3,2-c]pyridin-4-one?
7-bromo-2-(2-ethyl-5-fluorononyl)-5-methylthieno[3,2-c]pyridin-4-one has a molecular weight of 416.40 g/mol, XLogP of 6.24, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-ethyl-5-fluorononyl)-5-methylthieno[3,2-c]pyridin-4-one is sourced from PubChem (CID 123272724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).