[3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone

C23H17F3N2O2S — CID 3677110

IUPAC[3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)c3c2N)cc1
InChIInChI=1S/C23H17F3N2O2S/c1-12-3-5-13(6-4-12)17-11-16(23(24,25)26)18-19(27)21(31-22(18)28-17)20(29)14-7-9-15(30-2)10-8-14/h3-11H,27H2,1-2H3
InChIKeyHEUZHCGCATZNCT-UHFFFAOYSA-N
MW442.46 g/mol
LogP6.11
Rot. Bonds4

About [3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone

[3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone (PubChem CID 3677110) has the molecular formula C23H17F3N2O2S and a molecular weight of 442.46 g/mol. Its IUPAC name is [3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone
PubChem CID3677110
Molecular FormulaC23H17F3N2O2S
Molecular Weight442.46 g/mol
Exact Mass442.10
IUPAC Name[3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2sc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)c3c2N)cc1
InChIInChI=1S/C23H17F3N2O2S/c1-12-3-5-13(6-4-12)17-11-16(23(24,25)26)18-19(27)21(31-22(18)28-17)20(29)14-7-9-15(30-2)10-8-14/h3-11H,27H2,1-2H3
InChIKeyHEUZHCGCATZNCT-UHFFFAOYSA-N
XLogP6.11
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.46
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone 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 [3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone?
The IUPAC name of [3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone (CID 3677110) is [3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone.
What is the SMILES notation for [3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone?
The canonical SMILES for [3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone is COc1ccc(C(=O)c2sc3nc(-c4ccc(C)cc4)cc(C(F)(F)F)c3c2N)cc1.
What is the InChIKey of [3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone?
The InChIKey is HEUZHCGCATZNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N2O2S/c1-12-3-5-13(6-4-12)17-11-16(23(24,25)26)18-19(27)21(31-22(18)28-17)20(29)14-7-9-15(30-2)10-8-14/h3-11H,27H2,1-2H3.
What are the key properties of [3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone?
[3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone has a molecular weight of 442.46 g/mol, XLogP of 6.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-(4-methylphenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(4-methoxyphenyl)methanone is sourced from PubChem (CID 3677110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).