7-amino-N-(4-fluoro-2-iodophenyl)thieno[2,3-b]pyrazine-6-carboxamide

C13H8FIN4OS — CID 79761881

IUPAC7-amino-N-(4-fluoro-2-iodophenyl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESNc1c(C(=O)Nc2ccc(F)cc2I)sc2nccnc12
InChIInChI=1S/C13H8FIN4OS/c14-6-1-2-8(7(15)5-6)19-12(20)11-9(16)10-13(21-11)18-4-3-17-10/h1-5H,16H2,(H,19,20)
InChIKeyHOCWEKMJLKVRHX-UHFFFAOYSA-N
MW414.20 g/mol
LogP3.27
Rot. Bonds2

About 7-amino-N-(4-fluoro-2-iodophenyl)thieno[2,3-b]pyrazine-6-carboxamide

7-amino-N-(4-fluoro-2-iodophenyl)thieno[2,3-b]pyrazine-6-carboxamide (PubChem CID 79761881) has the molecular formula C13H8FIN4OS and a molecular weight of 414.20 g/mol. Its IUPAC name is 7-amino-N-(4-fluoro-2-iodophenyl)thieno[2,3-b]pyrazine-6-carboxamide.

Molecular Properties

Compound Name7-amino-N-(4-fluoro-2-iodophenyl)thieno[2,3-b]pyrazine-6-carboxamide
PubChem CID79761881
Molecular FormulaC13H8FIN4OS
Molecular Weight414.20 g/mol
Exact Mass413.94
IUPAC Name7-amino-N-(4-fluoro-2-iodophenyl)thieno[2,3-b]pyrazine-6-carboxamide
SMILESNc1c(C(=O)Nc2ccc(F)cc2I)sc2nccnc12
InChIInChI=1S/C13H8FIN4OS/c14-6-1-2-8(7(15)5-6)19-12(20)11-9(16)10-13(21-11)18-4-3-17-10/h1-5H,16H2,(H,19,20)
InChIKeyHOCWEKMJLKVRHX-UHFFFAOYSA-N
XLogP3.27
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.20
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

7-amino-N-(2-bromo-5-fluorophenyl)thieno[2,3-b]pyrazine-6-carboxamide
CID 107638446
2-amino-N-(4-fluoro-2-iodophenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 79766278
5-amino-N-(4-fluoro-2-iodophenyl)pyridine-2-carboxamide
CID 81316083
4-amino-N-(4-fluoro-2-iodophenyl)-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116671143
4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide
CID 116671148
3-amino-N-(2-chloro-5-fluorophenyl)thieno[3,2-b]pyridine-2-carboxamide
CID 107531684
2-amino-3-fluoro-N-(4-fluoro-2-iodophenyl)pyridine-4-carboxamide
CID 105386874
5-amino-N-(2-bromo-4-fluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80514829
5-amino-N-(2,5-difluorophenyl)thieno[2,3-c]pyridazine-6-carboxamide
CID 80515622
4-amino-N-(4-fluoro-2-iodophenyl)-6-methylpyridine-3-carboxamide
CID 81245036
4-amino-N-(4-fluoro-2-iodophenyl)-1H-pyrazole-5-carboxamide
CID 79768952
4-fluoro-N-(4-fluoro-2-iodophenyl)benzamide
CID 79768923

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-(4-fluoro-2-iodophenyl)thieno[2,3-b]pyrazine-6-carboxamide?
The IUPAC name of 7-amino-N-(4-fluoro-2-iodophenyl)thieno[2,3-b]pyrazine-6-carboxamide (CID 79761881) is 7-amino-N-(4-fluoro-2-iodophenyl)thieno[2,3-b]pyrazine-6-carboxamide.
What is the SMILES notation for 7-amino-N-(4-fluoro-2-iodophenyl)thieno[2,3-b]pyrazine-6-carboxamide?
The canonical SMILES for 7-amino-N-(4-fluoro-2-iodophenyl)thieno[2,3-b]pyrazine-6-carboxamide is Nc1c(C(=O)Nc2ccc(F)cc2I)sc2nccnc12.
What is the InChIKey of 7-amino-N-(4-fluoro-2-iodophenyl)thieno[2,3-b]pyrazine-6-carboxamide?
The InChIKey is HOCWEKMJLKVRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FIN4OS/c14-6-1-2-8(7(15)5-6)19-12(20)11-9(16)10-13(21-11)18-4-3-17-10/h1-5H,16H2,(H,19,20).
What are the key properties of 7-amino-N-(4-fluoro-2-iodophenyl)thieno[2,3-b]pyrazine-6-carboxamide?
7-amino-N-(4-fluoro-2-iodophenyl)thieno[2,3-b]pyrazine-6-carboxamide has a molecular weight of 414.20 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-(4-fluoro-2-iodophenyl)thieno[2,3-b]pyrazine-6-carboxamide is sourced from PubChem (CID 79761881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).