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

C21H11Cl2F3N2OS — CID 4251194

IUPAC[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Cl)cc2Cl)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12
InChIInChI=1S/C21H11Cl2F3N2OS/c22-11-6-7-12(14(23)8-11)18(29)19-17(27)16-13(21(24,25)26)9-15(28-20(16)30-19)10-4-2-1-3-5-10/h1-9H,27H2
InChIKeyPQMUGTSUBCVBMF-UHFFFAOYSA-N
MW467.30 g/mol
LogP7.10
Rot. Bonds3

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

[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone (PubChem CID 4251194) has the molecular formula C21H11Cl2F3N2OS and a molecular weight of 467.30 g/mol. Its IUPAC name is [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone.

Molecular Properties

Compound Name[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
PubChem CID4251194
Molecular FormulaC21H11Cl2F3N2OS
Molecular Weight467.30 g/mol
Exact Mass465.99
IUPAC Name[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Cl)cc2Cl)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12
InChIInChI=1S/C21H11Cl2F3N2OS/c22-11-6-7-12(14(23)8-11)18(29)19-17(27)16-13(21(24,25)26)9-15(28-20(16)30-19)10-4-2-1-3-5-10/h1-9H,27H2
InChIKeyPQMUGTSUBCVBMF-UHFFFAOYSA-N
XLogP7.10
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.30
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone with MolForge

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Related Compounds

3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylic acid
CID 712459
3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 11494474
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(3,4-dimethoxyphenyl)methanone
CID 1005350
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,3-dihydro-1,4-benzodioxin-6-yl)methanone
CID 1005110
[3-amino-6-(4-methoxyphenyl)-4-(4-methylphenyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
CID 23773333
3-amino-6-(2,4-dichlorophenyl)-N-ethyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxamide
CID 2968252
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-morpholin-4-ylmethanone
CID 1157649
2-[[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carbonyl]amino]ethyl-dimethylazanium
CID 7349473
[3-amino-6-(4-chlorophenyl)-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl] carbamate
CID 23134994
2-(aminomethyl)-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-3-amine
CID 170875365
[3-amino-6-(difluoromethyl)-4-methylthieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone
CID 1001525
methyl 3-amino-6-pyridin-4-yl-4-(trifluoromethyl)thieno[2,3-b]pyridine-2-carboxylate
CID 1086462

Frequently Asked Questions

What is the IUPAC name of [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone?
The IUPAC name of [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone (CID 4251194) is [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone.
What is the SMILES notation for [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone?
The canonical SMILES for [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone is Nc1c(C(=O)c2ccc(Cl)cc2Cl)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12.
What is the InChIKey of [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone?
The InChIKey is PQMUGTSUBCVBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11Cl2F3N2OS/c22-11-6-7-12(14(23)8-11)18(29)19-17(27)16-13(21(24,25)26)9-15(28-20(16)30-19)10-4-2-1-3-5-10/h1-9H,27H2.
What are the key properties of [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone?
[3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone has a molecular weight of 467.30 g/mol, XLogP of 7.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-6-phenyl-4-(trifluoromethyl)thieno[2,3-b]pyridin-2-yl]-(2,4-dichlorophenyl)methanone is sourced from PubChem (CID 4251194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).