3-[5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one

C17H16FN5O3S2 — CID 171587373

IUPAC3-[5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ncccc4F)CC3)s2)n[nH]1
InChIInChI=1S/C17H16FN5O3S2/c18-12-2-1-7-19-17(12)22-8-10-23(11-9-22)28(25,26)16-6-4-14(27-16)13-3-5-15(24)21-20-13/h1-7H,8-11H2,(H,21,24)
InChIKeyKMKRTRUAOKEXHY-UHFFFAOYSA-N
MW421.48 g/mol
LogP1.54
Rot. Bonds4

About 3-[5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one

3-[5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one (PubChem CID 171587373) has the molecular formula C17H16FN5O3S2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 3-[5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one
PubChem CID171587373
Molecular FormulaC17H16FN5O3S2
Molecular Weight421.48 g/mol
Exact Mass421.07
IUPAC Name3-[5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one
SMILESO=c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ncccc4F)CC3)s2)n[nH]1
InChIInChI=1S/C17H16FN5O3S2/c18-12-2-1-7-19-17(12)22-8-10-23(11-9-22)28(25,26)16-6-4-14(27-16)13-3-5-15(24)21-20-13/h1-7H,8-11H2,(H,21,24)
InChIKeyKMKRTRUAOKEXHY-UHFFFAOYSA-N
XLogP1.54
TPSA99.26 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[5-[4-(6-amino-3-fluoro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one
CID 171587314
3-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]pyrazine-2-carboxamide
CID 171587316
3-[5-[4-(2-aminopyrimidin-4-yl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one
CID 171587306
3-[5-[4-[6-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one
CID 171587339
3-[5-[4-(5-nitro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one
CID 171587333
3-[5-[4-[1-oxido-5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one
CID 171587355
N-[5-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-2-pyridinyl]acetamide
CID 171587351
2-amino-3-methyl-N-[5-[4-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperazin-1-yl]-2-pyridinyl]butanamide
CID 171587292
N-(4-fluorophenyl)-1-[5-(6-oxo-1H-pyridazin-3-yl)thiophen-2-yl]sulfonylpiperidine-3-carboxamide
CID 46281809
3-[5-[4-[methyl(3-propan-2-yloxypropyl)amino]piperidin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one
CID 20939799
1-(3-chlorophenyl)-4-[5-(5-methyl-1H-pyrazol-3-yl)thiophen-2-yl]sulfonylpiperazine
CID 20947441
3-[5-[(2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)sulfonyl]thiophen-2-yl]-1H-pyridazin-6-one
CID 20970044

Frequently Asked Questions

What is the IUPAC name of 3-[5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one?
The IUPAC name of 3-[5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one (CID 171587373) is 3-[5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 3-[5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one?
The canonical SMILES for 3-[5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one is O=c1ccc(-c2ccc(S(=O)(=O)N3CCN(c4ncccc4F)CC3)s2)n[nH]1.
What is the InChIKey of 3-[5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one?
The InChIKey is KMKRTRUAOKEXHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3S2/c18-12-2-1-7-19-17(12)22-8-10-23(11-9-22)28(25,26)16-6-4-14(27-16)13-3-5-15(24)21-20-13/h1-7H,8-11H2,(H,21,24).
What are the key properties of 3-[5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one?
3-[5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one has a molecular weight of 421.48 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]sulfonylthiophen-2-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 171587373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).