6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one

C17H18FN7O — CID 126930239

IUPAC6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC3CN(c4ncncc4F)C3)n2)n1
InChIInChI=1S/C17H18FN7O/c1-11-5-12(2)25(21-11)15-3-4-16(26)24(22-15)9-13-7-23(8-13)17-14(18)6-19-10-20-17/h3-6,10,13H,7-9H2,1-2H3
InChIKeySNWCRMJKHLOIFN-UHFFFAOYSA-N
MW355.38 g/mol
LogP1.11
Rot. Bonds4

About 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one

6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one (PubChem CID 126930239) has the molecular formula C17H18FN7O and a molecular weight of 355.38 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
PubChem CID126930239
Molecular FormulaC17H18FN7O
Molecular Weight355.38 g/mol
Exact Mass355.16
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
SMILESCc1cc(C)n(-c2ccc(=O)n(CC3CN(c4ncncc4F)C3)n2)n1
InChIInChI=1S/C17H18FN7O/c1-11-5-12(2)25(21-11)15-3-4-16(26)24(22-15)9-13-7-23(8-13)17-14(18)6-19-10-20-17/h3-6,10,13H,7-9H2,1-2H3
InChIKeySNWCRMJKHLOIFN-UHFFFAOYSA-N
XLogP1.11
TPSA81.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.38
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one (CID 126930239) is 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one is Cc1cc(C)n(-c2ccc(=O)n(CC3CN(c4ncncc4F)C3)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one?
The InChIKey is SNWCRMJKHLOIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7O/c1-11-5-12(2)25(21-11)15-3-4-16(26)24(22-15)9-13-7-23(8-13)17-14(18)6-19-10-20-17/h3-6,10,13H,7-9H2,1-2H3.
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one?
6-(3,5-dimethylpyrazol-1-yl)-2-[[1-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one has a molecular weight of 355.38 g/mol, XLogP of 1.11, 4 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-(5-fluoropyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one is sourced from PubChem (CID 126930239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).