6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyrazolo[1,5-a]pyrazin-4-ylazetidin-3-yl)methyl]pyridazin-3-one

C19H20N8O — CID 126930065

IUPAC6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyrazolo[1,5-a]pyrazin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC3CN(c4nccn5nccc45)C3)n2)n1
InChIInChI=1S/C19H20N8O/c1-13-9-14(2)27(22-13)17-3-4-18(28)26(23-17)12-15-10-24(11-15)19-16-5-6-21-25(16)8-7-20-19/h3-9,15H,10-12H2,1-2H3
InChIKeyLPMGGRFULCIWOY-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.22
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyrazolo[1,5-a]pyrazin-4-ylazetidin-3-yl)methyl]pyridazin-3-one

6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyrazolo[1,5-a]pyrazin-4-ylazetidin-3-yl)methyl]pyridazin-3-one (PubChem CID 126930065) has the molecular formula C19H20N8O and a molecular weight of 376.42 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyrazolo[1,5-a]pyrazin-4-ylazetidin-3-yl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyrazolo[1,5-a]pyrazin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
PubChem CID126930065
Molecular FormulaC19H20N8O
Molecular Weight376.42 g/mol
Exact Mass376.18
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyrazolo[1,5-a]pyrazin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC3CN(c4nccn5nccc45)C3)n2)n1
InChIInChI=1S/C19H20N8O/c1-13-9-14(2)27(22-13)17-3-4-18(28)26(23-17)12-15-10-24(11-15)19-16-5-6-21-25(16)8-7-20-19/h3-9,15H,10-12H2,1-2H3
InChIKeyLPMGGRFULCIWOY-UHFFFAOYSA-N
XLogP1.22
TPSA86.14 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyridin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126930018
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4-methylphthalazin-1-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930097
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(2-pyrazol-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930053
6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinolin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126930085
6-(3,5-dimethylpyrazol-1-yl)-2-[(1-quinoxalin-2-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126930213
2-[[1-(6-cyclopropylpyridazin-3-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930075
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[2-(2-methylpyrazol-3-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126930177
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1,3-oxazol-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930111
2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930258
2-[[1-(6-cyclobutylpyrimidin-4-yl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930068
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930027
2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930049

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyrazolo[1,5-a]pyrazin-4-ylazetidin-3-yl)methyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyrazolo[1,5-a]pyrazin-4-ylazetidin-3-yl)methyl]pyridazin-3-one (CID 126930065) is 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyrazolo[1,5-a]pyrazin-4-ylazetidin-3-yl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyrazolo[1,5-a]pyrazin-4-ylazetidin-3-yl)methyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyrazolo[1,5-a]pyrazin-4-ylazetidin-3-yl)methyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(CC3CN(c4nccn5nccc45)C3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyrazolo[1,5-a]pyrazin-4-ylazetidin-3-yl)methyl]pyridazin-3-one?
The InChIKey is LPMGGRFULCIWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N8O/c1-13-9-14(2)27(22-13)17-3-4-18(28)26(23-17)12-15-10-24(11-15)19-16-5-6-21-25(16)8-7-20-19/h3-9,15H,10-12H2,1-2H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyrazolo[1,5-a]pyrazin-4-ylazetidin-3-yl)methyl]pyridazin-3-one?
6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyrazolo[1,5-a]pyrazin-4-ylazetidin-3-yl)methyl]pyridazin-3-one has a molecular weight of 376.42 g/mol, XLogP of 1.22, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyrazolo[1,5-a]pyrazin-4-ylazetidin-3-yl)methyl]pyridazin-3-one is sourced from PubChem (CID 126930065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).