2-propyl-6-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one

C17H21N5O4S — CID 55614050

IUPAC2-propyl-6-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)ccc1=O
InChIInChI=1S/C17H21N5O4S/c1-2-8-22-16(23)6-5-15(19-22)17(24)20-9-11-21(12-10-20)27(25,26)14-4-3-7-18-13-14/h3-7,13H,2,8-12H2,1H3
InChIKeyABPKIFYQZHTBIO-UHFFFAOYSA-N
MW391.45 g/mol
LogP0.19
Rot. Bonds5

About 2-propyl-6-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one

2-propyl-6-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one (PubChem CID 55614050) has the molecular formula C17H21N5O4S and a molecular weight of 391.45 g/mol. Its IUPAC name is 2-propyl-6-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one.

Molecular Properties

Compound Name2-propyl-6-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one
PubChem CID55614050
Molecular FormulaC17H21N5O4S
Molecular Weight391.45 g/mol
Exact Mass391.13
IUPAC Name2-propyl-6-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one
SMILESCCCn1nc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)ccc1=O
InChIInChI=1S/C17H21N5O4S/c1-2-8-22-16(23)6-5-15(19-22)17(24)20-9-11-21(12-10-20)27(25,26)14-4-3-7-18-13-14/h3-7,13H,2,8-12H2,1H3
InChIKeyABPKIFYQZHTBIO-UHFFFAOYSA-N
XLogP0.19
TPSA105.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-butyl-6-[4-[4-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]pyridazin-3-one
CID 55337886
2-butyl-6-(4-thiophen-2-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one
CID 38068227
N-[1-(6-oxo-1-propylpyridazine-3-carbonyl)piperidin-4-yl]benzenesulfonamide
CID 33161659
6-(3-hydroxyazetidine-1-carbonyl)-2-propylpyridazin-3-one
CID 63106592
N,N-diethyl-4-[1-(2-methoxyethyl)-6-oxopyridazine-3-carbonyl]piperazine-1-sulfonamide
CID 24630476
[2-oxo-2-(4-pyrrolidin-1-ylsulfonylphenyl)ethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 55311088
(6-chloro-3-pyridinyl)-(4-pyridin-3-ylsulfonylpiperazin-1-yl)methanone
CID 39227234
6-(4-benzoylpiperidine-1-carbonyl)-2-propylpyridazin-3-one
CID 18143303
6-[4-(3-fluoro-4-methylbenzoyl)piperazine-1-carbonyl]-2-propylpyridazin-3-one
CID 55879910
[4-(benzenesulfonyl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 27509869
2-methyl-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)propan-2-ol
CID 63239500
2-(4-pyridin-3-ylsulfonylpiperazin-1-yl)acetic acid
CID 43521604

Frequently Asked Questions

What is the IUPAC name of 2-propyl-6-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one?
The IUPAC name of 2-propyl-6-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one (CID 55614050) is 2-propyl-6-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one.
What is the SMILES notation for 2-propyl-6-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one?
The canonical SMILES for 2-propyl-6-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one is CCCn1nc(C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)ccc1=O.
What is the InChIKey of 2-propyl-6-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one?
The InChIKey is ABPKIFYQZHTBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O4S/c1-2-8-22-16(23)6-5-15(19-22)17(24)20-9-11-21(12-10-20)27(25,26)14-4-3-7-18-13-14/h3-7,13H,2,8-12H2,1H3.
What are the key properties of 2-propyl-6-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one?
2-propyl-6-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one has a molecular weight of 391.45 g/mol, XLogP of 0.19, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-6-(4-pyridin-3-ylsulfonylpiperazine-1-carbonyl)pyridazin-3-one is sourced from PubChem (CID 55614050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).