1-(1-methylpyrazol-4-yl)-3-[[3-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-4-one

C23H24N6O3 — CID 67343291

IUPAC1-(1-methylpyrazol-4-yl)-3-[[3-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-4-one
SMILESCn1cc(-n2ccc(=O)c(Cc3cccc(-c4noc(CC5CCOCC5)n4)c3)n2)cn1
InChIInChI=1S/C23H24N6O3/c1-28-15-19(14-24-28)29-8-5-21(30)20(26-29)12-17-3-2-4-18(11-17)23-25-22(32-27-23)13-16-6-9-31-10-7-16/h2-5,8,11,14-16H,6-7,9-10,12-13H2,1H3
InChIKeyCSKRUIIJUBEUSZ-UHFFFAOYSA-N
MW432.48 g/mol
LogP2.58
Rot. Bonds6

About 1-(1-methylpyrazol-4-yl)-3-[[3-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-4-one

1-(1-methylpyrazol-4-yl)-3-[[3-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-4-one (PubChem CID 67343291) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-[[3-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-4-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-[[3-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-4-one
PubChem CID67343291
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Name1-(1-methylpyrazol-4-yl)-3-[[3-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-4-one
SMILESCn1cc(-n2ccc(=O)c(Cc3cccc(-c4noc(CC5CCOCC5)n4)c3)n2)cn1
InChIInChI=1S/C23H24N6O3/c1-28-15-19(14-24-28)29-8-5-21(30)20(26-29)12-17-3-2-4-18(11-17)23-25-22(32-27-23)13-16-6-9-31-10-7-16/h2-5,8,11,14-16H,6-7,9-10,12-13H2,1H3
InChIKeyCSKRUIIJUBEUSZ-UHFFFAOYSA-N
XLogP2.58
TPSA100.86 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-(1-methylpyrazol-4-yl)-3-[[3-[5-(1-methylpyrazol-4-yl)pyrimidin-2-yl]phenyl]methyl]pyridazin-4-one
CID 67344539
1-(1-methylpyrazol-4-yl)-3-[[3-[5-(2-phenylethyl)pyrimidin-2-yl]phenyl]methyl]pyridazin-4-one
CID 67341644
3-[[3-(5-ethoxypyrimidin-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one
CID 53308178
1-(1-methylpyrazol-4-yl)-3-[[3-(1,3-thiazol-2-yl)phenyl]methyl]pyridazin-4-one
CID 53308325
3-[[3-[1-[(3-methyloxetan-3-yl)methyl]-1,2,4-triazol-3-yl]phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one
CID 70871403
1-(1-methylpyrazol-4-yl)-3-[[3-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]phenyl]methyl]pyridazin-4-one
CID 70871422
3-[[3-[5-(2-methylpropoxy)pyrimidin-2-yl]phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one
CID 67379300
3-[[3-[5-[2-methoxyethyl(methyl)amino]pyrimidin-2-yl]phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one
CID 67340286
1-(1-methylpyrazol-4-yl)-3-[[3-[5-(pyridin-4-ylmethoxy)pyrimidin-2-yl]phenyl]methyl]pyridazin-4-one
CID 70871354
3-[[3-(5-methyl-1H-imidazol-2-yl)phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one
CID 67342289
2-[3-[[1-(1-methylpyrazol-4-yl)-4-oxopyridazin-3-yl]methyl]phenyl]acetamide
CID 53307260
3-[[3-[5-[(E)-3-(dimethylamino)prop-1-enyl]pyrimidin-2-yl]phenyl]methyl]-1-(1-methylpyrazol-4-yl)pyridazin-4-one
CID 67322269

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[[3-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-4-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-[[3-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-4-one (CID 67343291) is 1-(1-methylpyrazol-4-yl)-3-[[3-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-4-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-[[3-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-4-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-[[3-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-4-one is Cn1cc(-n2ccc(=O)c(Cc3cccc(-c4noc(CC5CCOCC5)n4)c3)n2)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-[[3-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-4-one?
The InChIKey is CSKRUIIJUBEUSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-28-15-19(14-24-28)29-8-5-21(30)20(26-29)12-17-3-2-4-18(11-17)23-25-22(32-27-23)13-16-6-9-31-10-7-16/h2-5,8,11,14-16H,6-7,9-10,12-13H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-[[3-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-4-one?
1-(1-methylpyrazol-4-yl)-3-[[3-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-4-one has a molecular weight of 432.48 g/mol, XLogP of 2.58, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-[[3-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-4-one is sourced from PubChem (CID 67343291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).