4-[5-(1-methylpiperidin-4-yl)oxyisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one

C19H19F3N4O2 — CID 146218626

IUPAC4-[5-(1-methylpiperidin-4-yl)oxyisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCN1CCC(Oc2ccc3cn(-c4cn[nH]c(=O)c4C(F)(F)F)cc3c2)CC1
InChIInChI=1S/C19H19F3N4O2/c1-25-6-4-14(5-7-25)28-15-3-2-12-10-26(11-13(12)8-15)16-9-23-24-18(27)17(16)19(20,21)22/h2-3,8-11,14H,4-7H2,1H3,(H,24,27)
InChIKeyZNMGVUVRWDTEMA-UHFFFAOYSA-N
MW392.38 g/mol
LogP3.21
Rot. Bonds3

About 4-[5-(1-methylpiperidin-4-yl)oxyisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one

4-[5-(1-methylpiperidin-4-yl)oxyisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 146218626) has the molecular formula C19H19F3N4O2 and a molecular weight of 392.38 g/mol. Its IUPAC name is 4-[5-(1-methylpiperidin-4-yl)oxyisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-[5-(1-methylpiperidin-4-yl)oxyisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID146218626
Molecular FormulaC19H19F3N4O2
Molecular Weight392.38 g/mol
Exact Mass392.15
IUPAC Name4-[5-(1-methylpiperidin-4-yl)oxyisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCN1CCC(Oc2ccc3cn(-c4cn[nH]c(=O)c4C(F)(F)F)cc3c2)CC1
InChIInChI=1S/C19H19F3N4O2/c1-25-6-4-14(5-7-25)28-15-3-2-12-10-26(11-13(12)8-15)16-9-23-24-18(27)17(16)19(20,21)22/h2-3,8-11,14H,4-7H2,1H3,(H,24,27)
InChIKeyZNMGVUVRWDTEMA-UHFFFAOYSA-N
XLogP3.21
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(1-methylpiperidin-4-yl)oxyisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one with MolForge

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Related Compounds

5-methyl-4-[2-methyl-4-(1H-pyrrolo[3,2-c]pyridin-4-yloxy)phenyl]-1H-pyridazin-6-one
CID 90140110
5-{5-[(piperidin-4-yl)oxy]-2H-isoindol-2-yl}-4-(trifluoromethyl)pyridazin-3(2H)-one
CID 146218513
1-(5-Propan-2-yloxyisoindol-2-yl)-6-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]hexan-1-one
CID 69143559
4-[4-[3-(difluoromethyl)pyridin-2-yl]oxy-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one
CID 86764104
4-[4-[4-methoxy-3-(trifluoromethyl)pyridin-2-yl]oxy-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one
CID 86764214
3,5-dimethyl-4-[2-methyl-4-[3-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-1H-pyridazin-6-one
CID 86764215
4-[4-[(5-fluoro-3-methyl-2-pyridinyl)oxy]-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one
CID 117773821
3,5-dimethyl-4-[2-methyl-4-[4-methyl-3-(trifluoromethyl)pyridin-2-yl]oxyphenyl]-1H-pyridazin-6-one
CID 117773867
4-[4-[3-(difluoromethyl)-4-methoxypyridin-2-yl]oxy-2-methylphenyl]-3,5-dimethyl-1H-pyridazin-6-one
CID 117774412
1,1,1,3,3,3-Hexafluoropropan-2-yl 5-(2-piperidin-1-ylethoxy)isoindole-2-carboxylate
CID 138619205
4-(5-fluoro-6-methoxy-1-methylisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 146218188
4-(5-piperidin-3-yloxyisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 146218192

Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methylpiperidin-4-yl)oxyisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-[5-(1-methylpiperidin-4-yl)oxyisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 146218626) is 4-[5-(1-methylpiperidin-4-yl)oxyisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-[5-(1-methylpiperidin-4-yl)oxyisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-[5-(1-methylpiperidin-4-yl)oxyisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one is CN1CCC(Oc2ccc3cn(-c4cn[nH]c(=O)c4C(F)(F)F)cc3c2)CC1.
What is the InChIKey of 4-[5-(1-methylpiperidin-4-yl)oxyisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is ZNMGVUVRWDTEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O2/c1-25-6-4-14(5-7-25)28-15-3-2-12-10-26(11-13(12)8-15)16-9-23-24-18(27)17(16)19(20,21)22/h2-3,8-11,14H,4-7H2,1H3,(H,24,27).
What are the key properties of 4-[5-(1-methylpiperidin-4-yl)oxyisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one?
4-[5-(1-methylpiperidin-4-yl)oxyisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 392.38 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methylpiperidin-4-yl)oxyisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 146218626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).