3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide

C21H15F2N3OS — CID 1004109

IUPAC3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)cc1F
InChIInChI=1S/C21H15F2N3OS/c1-11-2-7-14(10-16(11)23)25-20(27)19-18(24)15-8-9-17(26-21(15)28-19)12-3-5-13(22)6-4-12/h2-10H,24H2,1H3,(H,25,27)
InChIKeyFYWTZCDSXKFMFO-UHFFFAOYSA-N
MW395.43 g/mol
LogP5.38
Rot. Bonds3

About 3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide

3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide (PubChem CID 1004109) has the molecular formula C21H15F2N3OS and a molecular weight of 395.43 g/mol. Its IUPAC name is 3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
PubChem CID1004109
Molecular FormulaC21H15F2N3OS
Molecular Weight395.43 g/mol
Exact Mass395.09
IUPAC Name3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)cc1F
InChIInChI=1S/C21H15F2N3OS/c1-11-2-7-14(10-16(11)23)25-20(27)19-18(24)15-8-9-17(26-21(15)28-19)12-3-5-13(22)6-4-12/h2-10H,24H2,1H3,(H,25,27)
InChIKeyFYWTZCDSXKFMFO-UHFFFAOYSA-N
XLogP5.38
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.43
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The IUPAC name of 3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide (CID 1004109) is 3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for 3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide is Cc1ccc(NC(=O)c2sc3nc(-c4ccc(F)cc4)ccc3c2N)cc1F.
What is the InChIKey of 3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
The InChIKey is FYWTZCDSXKFMFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N3OS/c1-11-2-7-14(10-16(11)23)25-20(27)19-18(24)15-8-9-17(26-21(15)28-19)12-3-5-13(22)6-4-12/h2-10H,24H2,1H3,(H,25,27).
What are the key properties of 3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide?
3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide has a molecular weight of 395.43 g/mol, XLogP of 5.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-fluoro-4-methylphenyl)-6-(4-fluorophenyl)thieno[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 1004109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).