2-amino-3-(4-fluoro-3-methylbenzoyl)-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one

C22H17FN2O2S — CID 67532793

IUPAC2-amino-3-(4-fluoro-3-methylbenzoyl)-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one
SMILESCc1ccc(-n2c(=O)ccc3c(C(=O)c4ccc(F)c(C)c4)c(N)sc32)cc1
InChIInChI=1S/C22H17FN2O2S/c1-12-3-6-15(7-4-12)25-18(26)10-8-16-19(21(24)28-22(16)25)20(27)14-5-9-17(23)13(2)11-14/h3-11H,24H2,1-2H3
InChIKeyRKBHYDNUBQUOEM-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.62
Rot. Bonds3

About 2-amino-3-(4-fluoro-3-methylbenzoyl)-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one

2-amino-3-(4-fluoro-3-methylbenzoyl)-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one (PubChem CID 67532793) has the molecular formula C22H17FN2O2S and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-amino-3-(4-fluoro-3-methylbenzoyl)-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one.

Molecular Properties

Compound Name2-amino-3-(4-fluoro-3-methylbenzoyl)-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one
PubChem CID67532793
Molecular FormulaC22H17FN2O2S
Molecular Weight392.46 g/mol
Exact Mass392.10
IUPAC Name2-amino-3-(4-fluoro-3-methylbenzoyl)-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one
SMILESCc1ccc(-n2c(=O)ccc3c(C(=O)c4ccc(F)c(C)c4)c(N)sc32)cc1
InChIInChI=1S/C22H17FN2O2S/c1-12-3-6-15(7-4-12)25-18(26)10-8-16-19(21(24)28-22(16)25)20(27)14-5-9-17(23)13(2)11-14/h3-11H,24H2,1-2H3
InChIKeyRKBHYDNUBQUOEM-UHFFFAOYSA-N
XLogP4.62
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-amino-3-(4-fluoro-3-methylbenzoyl)-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-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 2-amino-3-(4-fluoro-3-methylbenzoyl)-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one?
The IUPAC name of 2-amino-3-(4-fluoro-3-methylbenzoyl)-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one (CID 67532793) is 2-amino-3-(4-fluoro-3-methylbenzoyl)-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one.
What is the SMILES notation for 2-amino-3-(4-fluoro-3-methylbenzoyl)-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one?
The canonical SMILES for 2-amino-3-(4-fluoro-3-methylbenzoyl)-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one is Cc1ccc(-n2c(=O)ccc3c(C(=O)c4ccc(F)c(C)c4)c(N)sc32)cc1.
What is the InChIKey of 2-amino-3-(4-fluoro-3-methylbenzoyl)-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one?
The InChIKey is RKBHYDNUBQUOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN2O2S/c1-12-3-6-15(7-4-12)25-18(26)10-8-16-19(21(24)28-22(16)25)20(27)14-5-9-17(23)13(2)11-14/h3-11H,24H2,1-2H3.
What are the key properties of 2-amino-3-(4-fluoro-3-methylbenzoyl)-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one?
2-amino-3-(4-fluoro-3-methylbenzoyl)-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one has a molecular weight of 392.46 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(4-fluoro-3-methylbenzoyl)-7-(4-methylphenyl)thieno[2,3-b]pyridin-6-one is sourced from PubChem (CID 67532793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).