2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one

C16H15F3N6O — CID 171995884

IUPAC2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one
SMILESCc1cc(N2CC(Cn3nc(C(F)(F)F)ccc3=O)C2)n2nccc2n1
InChIInChI=1S/C16H15F3N6O/c1-10-6-14(25-13(21-10)4-5-20-25)23-7-11(8-23)9-24-15(26)3-2-12(22-24)16(17,18)19/h2-6,11H,7-9H2,1H3
InChIKeyFWXBOANZFXIXKB-UHFFFAOYSA-N
MW364.33 g/mol
LogP1.75
Rot. Bonds3

About 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one

2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one (PubChem CID 171995884) has the molecular formula C16H15F3N6O and a molecular weight of 364.33 g/mol. Its IUPAC name is 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one
PubChem CID171995884
Molecular FormulaC16H15F3N6O
Molecular Weight364.33 g/mol
Exact Mass364.13
IUPAC Name2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one
SMILESCc1cc(N2CC(Cn3nc(C(F)(F)F)ccc3=O)C2)n2nccc2n1
InChIInChI=1S/C16H15F3N6O/c1-10-6-14(25-13(21-10)4-5-20-25)23-7-11(8-23)9-24-15(26)3-2-12(22-24)16(17,18)19/h2-6,11H,7-9H2,1H3
InChIKeyFWXBOANZFXIXKB-UHFFFAOYSA-N
XLogP1.75
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-7,8-dihydro-5H-thiopyrano[4,3-c]pyridazin-3-one
CID 126929230
7-[3-(fluoromethyl)piperidin-1-yl]-5-methylpyrazolo[1,5-a]pyrimidine
CID 163343464
2-(azetidin-3-ylmethyl)-6-(trifluoromethyl)pyridazin-3-one
CID 171991200
6-tert-butyl-2-[[1-(2-cyclopropyl-6-methylpyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927797
1-[1-[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]pyrazol-4-yl]pyrrolidin-2-one
CID 126945584
6-methyl-2-[[1-(2-methyl-4-pyridinyl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126926995
6-tert-butyl-2-[[1-[(3,5-difluorophenyl)methyl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126928040
2-[[1-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one
CID 172891185
2-[[1-(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)piperidin-4-yl]methyl]-6-pyrazol-1-ylpyridazin-3-one
CID 126864639
2-[[1-[(2-methyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one
CID 171993219
2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923368
6-tert-butyl-2-[[1-(2-methylpyrido[3,4-d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126928071

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one (CID 171995884) is 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one is Cc1cc(N2CC(Cn3nc(C(F)(F)F)ccc3=O)C2)n2nccc2n1.
What is the InChIKey of 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one?
The InChIKey is FWXBOANZFXIXKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N6O/c1-10-6-14(25-13(21-10)4-5-20-25)23-7-11(8-23)9-24-15(26)3-2-12(22-24)16(17,18)19/h2-6,11H,7-9H2,1H3.
What are the key properties of 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one?
2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one has a molecular weight of 364.33 g/mol, XLogP of 1.75, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-methylpyrazolo[1,5-a]pyrimidin-7-yl)azetidin-3-yl]methyl]-6-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 171995884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).