4-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-2,6-dimethylpyridazin-3-one

C18H23F2N5O2 — CID 129145791

IUPAC4-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-2,6-dimethylpyridazin-3-one
SMILESCc1cc(Nc2ccc(OC(C)(C)CN3CC(F)(F)C3)cn2)c(=O)n(C)n1
InChIInChI=1S/C18H23F2N5O2/c1-12-7-14(16(26)24(4)23-12)22-15-6-5-13(8-21-15)27-17(2,3)9-25-10-18(19,20)11-25/h5-8H,9-11H2,1-4H3,(H,21,22)
InChIKeyFMNPPFIBMAWHSW-UHFFFAOYSA-N
MW379.41 g/mol
LogP2.34
Rot. Bonds6

About 4-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-2,6-dimethylpyridazin-3-one

4-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-2,6-dimethylpyridazin-3-one (PubChem CID 129145791) has the molecular formula C18H23F2N5O2 and a molecular weight of 379.41 g/mol. Its IUPAC name is 4-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-2,6-dimethylpyridazin-3-one.

Molecular Properties

Compound Name4-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-2,6-dimethylpyridazin-3-one
PubChem CID129145791
Molecular FormulaC18H23F2N5O2
Molecular Weight379.41 g/mol
Exact Mass379.18
IUPAC Name4-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-2,6-dimethylpyridazin-3-one
SMILESCc1cc(Nc2ccc(OC(C)(C)CN3CC(F)(F)C3)cn2)c(=O)n(C)n1
InChIInChI=1S/C18H23F2N5O2/c1-12-7-14(16(26)24(4)23-12)22-15-6-5-13(8-21-15)27-17(2,3)9-25-10-18(19,20)11-25/h5-8H,9-11H2,1-4H3,(H,21,22)
InChIKeyFMNPPFIBMAWHSW-UHFFFAOYSA-N
XLogP2.34
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-2,6-dimethylpyridazin-3-one?
The IUPAC name of 4-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-2,6-dimethylpyridazin-3-one (CID 129145791) is 4-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-2,6-dimethylpyridazin-3-one.
What is the SMILES notation for 4-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-2,6-dimethylpyridazin-3-one?
The canonical SMILES for 4-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-2,6-dimethylpyridazin-3-one is Cc1cc(Nc2ccc(OC(C)(C)CN3CC(F)(F)C3)cn2)c(=O)n(C)n1.
What is the InChIKey of 4-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-2,6-dimethylpyridazin-3-one?
The InChIKey is FMNPPFIBMAWHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23F2N5O2/c1-12-7-14(16(26)24(4)23-12)22-15-6-5-13(8-21-15)27-17(2,3)9-25-10-18(19,20)11-25/h5-8H,9-11H2,1-4H3,(H,21,22).
What are the key properties of 4-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-2,6-dimethylpyridazin-3-one?
4-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-2,6-dimethylpyridazin-3-one has a molecular weight of 379.41 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[1-(3,3-difluoroazetidin-1-yl)-2-methylpropan-2-yl]oxy-2-pyridinyl]amino]-2,6-dimethylpyridazin-3-one is sourced from PubChem (CID 129145791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).