2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine-7-carboxamide

C18H17FN4OS2 — CID 67053887

IUPAC2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(SC2CCCNC2)c2cc(-c3cccc(F)c3)sc12
InChIInChI=1S/C18H17FN4OS2/c19-11-4-1-3-10(7-11)14-8-13-16(26-14)15(17(20)24)22-23-18(13)25-12-5-2-6-21-9-12/h1,3-4,7-8,12,21H,2,5-6,9H2,(H2,20,24)
InChIKeyWBUFVJDTKCIDDG-UHFFFAOYSA-N
MW388.49 g/mol
LogP3.44
Rot. Bonds4

About 2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine-7-carboxamide

2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine-7-carboxamide (PubChem CID 67053887) has the molecular formula C18H17FN4OS2 and a molecular weight of 388.49 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine-7-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine-7-carboxamide
PubChem CID67053887
Molecular FormulaC18H17FN4OS2
Molecular Weight388.49 g/mol
Exact Mass388.08
IUPAC Name2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine-7-carboxamide
SMILESNC(=O)c1nnc(SC2CCCNC2)c2cc(-c3cccc(F)c3)sc12
InChIInChI=1S/C18H17FN4OS2/c19-11-4-1-3-10(7-11)14-8-13-16(26-14)15(17(20)24)22-23-18(13)25-12-5-2-6-21-9-12/h1,3-4,7-8,12,21H,2,5-6,9H2,(H2,20,24)
InChIKeyWBUFVJDTKCIDDG-UHFFFAOYSA-N
XLogP3.44
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.49
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine-7-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine-7-carboxamide (CID 67053887) is 2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine-7-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine-7-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine-7-carboxamide is NC(=O)c1nnc(SC2CCCNC2)c2cc(-c3cccc(F)c3)sc12.
What is the InChIKey of 2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine-7-carboxamide?
The InChIKey is WBUFVJDTKCIDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4OS2/c19-11-4-1-3-10(7-11)14-8-13-16(26-14)15(17(20)24)22-23-18(13)25-12-5-2-6-21-9-12/h1,3-4,7-8,12,21H,2,5-6,9H2,(H2,20,24).
What are the key properties of 2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine-7-carboxamide?
2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine-7-carboxamide has a molecular weight of 388.49 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-4-piperidin-3-ylsulfanylthieno[2,3-d]pyridazine-7-carboxamide is sourced from PubChem (CID 67053887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).