6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one

C19H26N8O3S — CID 126916443

IUPAC6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CCN3CCN(S(=O)(=O)c4cnn(C)c4)CC3)n2)n1
InChIInChI=1S/C19H26N8O3S/c1-15-12-16(2)27(21-15)18-4-5-19(28)26(22-18)11-8-24-6-9-25(10-7-24)31(29,30)17-13-20-23(3)14-17/h4-5,12-14H,6-11H2,1-3H3
InChIKeyAYIHIZGCEWKECM-UHFFFAOYSA-N
MW446.54 g/mol
LogP-0.21
Rot. Bonds6

About 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one

6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126916443) has the molecular formula C19H26N8O3S and a molecular weight of 446.54 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one
PubChem CID126916443
Molecular FormulaC19H26N8O3S
Molecular Weight446.54 g/mol
Exact Mass446.18
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CCN3CCN(S(=O)(=O)c4cnn(C)c4)CC3)n2)n1
InChIInChI=1S/C19H26N8O3S/c1-15-12-16(2)27(21-15)18-4-5-19(28)26(22-18)11-8-24-6-9-25(10-7-24)31(29,30)17-13-20-23(3)14-17/h4-5,12-14H,6-11H2,1-3H3
InChIKeyAYIHIZGCEWKECM-UHFFFAOYSA-N
XLogP-0.21
TPSA111.15 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 5-0.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-[(2-methyltriazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916451
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916533
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916423
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-[(5-methyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916489
2-[2-[4-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-ylmethyl)piperazin-1-yl]ethyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126916457
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-[(2-methylpyrimidin-4-yl)methyl]piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916471
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916495
6-[4-[2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]ethyl]piperazin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
CID 126916437
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(3-methyl-1,2,4-thiadiazol-5-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916428
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916384
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(5-methylthiophene-2-carbonyl)piperazin-1-yl]ethyl]pyridazin-3-one
CID 126916355
6-(3,5-dimethylpyrazol-1-yl)-2-[2-(4-quinazolin-4-ylpiperazin-1-yl)ethyl]pyridazin-3-one
CID 126916522

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one (CID 126916443) is 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(CCN3CCN(S(=O)(=O)c4cnn(C)c4)CC3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one?
The InChIKey is AYIHIZGCEWKECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O3S/c1-15-12-16(2)27(21-15)18-4-5-19(28)26(22-18)11-8-24-6-9-25(10-7-24)31(29,30)17-13-20-23(3)14-17/h4-5,12-14H,6-11H2,1-3H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one?
6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 446.54 g/mol, XLogP of -0.21, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[2-[4-(1-methylpyrazol-4-yl)sulfonylpiperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126916443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).