4-amino-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide

C13H9FN4OS — CID 11572821

IUPAC4-amino-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(N)c2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C13H9FN4OS/c14-7-3-1-6(2-4-7)9-5-8-11(20-9)10(13(16)19)17-18-12(8)15/h1-5H,(H2,15,18)(H2,16,19)
InChIKeyNQKXJEAEVZPSKB-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.18
Rot. Bonds2

About 4-amino-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide

4-amino-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 11572821) has the molecular formula C13H9FN4OS and a molecular weight of 288.31 g/mol. Its IUPAC name is 4-amino-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name4-amino-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide
PubChem CID11572821
Molecular FormulaC13H9FN4OS
Molecular Weight288.31 g/mol
Exact Mass288.05
IUPAC Name4-amino-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(N)c2cc(-c3ccc(F)cc3)sc12
InChIInChI=1S/C13H9FN4OS/c14-7-3-1-6(2-4-7)9-5-8-11(20-9)10(13(16)19)17-18-12(8)15/h1-5H,(H2,15,18)(H2,16,19)
InChIKeyNQKXJEAEVZPSKB-UHFFFAOYSA-N
XLogP2.18
TPSA94.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 4-amino-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide (CID 11572821) is 4-amino-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 4-amino-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 4-amino-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide is NC(=O)c1nnc(N)c2cc(-c3ccc(F)cc3)sc12.
What is the InChIKey of 4-amino-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is NQKXJEAEVZPSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9FN4OS/c14-7-3-1-6(2-4-7)9-5-8-11(20-9)10(13(16)19)17-18-12(8)15/h1-5H,(H2,15,18)(H2,16,19).
What are the key properties of 4-amino-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide?
4-amino-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 2.18, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-fluorophenyl)thieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 11572821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).