6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one

C21H27N7O — CID 126930113

IUPAC6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC3CN(Cc4cnn5c4CCCC5)C3)n2)n1
InChIInChI=1S/C21H27N7O/c1-15-9-16(2)28(23-15)20-6-7-21(29)27(24-20)13-17-11-25(12-17)14-18-10-22-26-8-4-3-5-19(18)26/h6-7,9-10,17H,3-5,8,11-14H2,1-2H3
InChIKeyWDYFBRCOWGOQPK-UHFFFAOYSA-N
MW393.50 g/mol
LogP1.71
Rot. Bonds5

About 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one

6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126930113) has the molecular formula C21H27N7O and a molecular weight of 393.50 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126930113
Molecular FormulaC21H27N7O
Molecular Weight393.50 g/mol
Exact Mass393.23
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC3CN(Cc4cnn5c4CCCC5)C3)n2)n1
InChIInChI=1S/C21H27N7O/c1-15-9-16(2)28(23-15)20-6-7-21(29)27(24-20)13-17-11-25(12-17)14-18-10-22-26-8-4-3-5-19(18)26/h6-7,9-10,17H,3-5,8,11-14H2,1-2H3
InChIKeyWDYFBRCOWGOQPK-UHFFFAOYSA-N
XLogP1.71
TPSA73.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one with MolForge

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Related Compounds

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-[[1-[2-(1-methylpiperidin-2-yl)ethyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126930182
2-[[1-(cyclopentylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930258
2-[[1-(cyclohexylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930049
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(1,3-oxazol-2-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930111
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126930282
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[(3-methyl-1,2-oxazol-5-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126930056
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126930054
2-[[1-(5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-3-ylmethyl)azetidin-3-yl]methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-one
CID 126930170
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-(2-pyrazol-1-ylethyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126930053
6-(3,5-dimethylpyrazol-1-yl)-2-[(1-pyridin-4-ylazetidin-3-yl)methyl]pyridazin-3-one
CID 126930018

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one (CID 126930113) is 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(CC3CN(Cc4cnn5c4CCCC5)C3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is WDYFBRCOWGOQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O/c1-15-9-16(2)28(23-15)20-6-7-21(29)27(24-20)13-17-11-25(12-17)14-18-10-22-26-8-4-3-5-19(18)26/h6-7,9-10,17H,3-5,8,11-14H2,1-2H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one?
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 393.50 g/mol, XLogP of 1.71, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126930113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).