4-(5-fluoro-1-methyl-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one

C19H20F4N4O2 — CID 146218576

IUPAC4-(5-fluoro-1-methyl-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCC1c2cc(OC3CCNCC3)c(F)cc2CN1c1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C19H20F4N4O2/c1-10-13-7-16(29-12-2-4-24-5-3-12)14(20)6-11(13)9-27(10)15-8-25-26-18(28)17(15)19(21,22)23/h6-8,10,12,24H,2-5,9H2,1H3,(H,26,28)
InChIKeyJETLPQITERHTTF-UHFFFAOYSA-N
MW412.39 g/mol
LogP3.14
Rot. Bonds3

About 4-(5-fluoro-1-methyl-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one

4-(5-fluoro-1-methyl-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one (PubChem CID 146218576) has the molecular formula C19H20F4N4O2 and a molecular weight of 412.39 g/mol. Its IUPAC name is 4-(5-fluoro-1-methyl-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(5-fluoro-1-methyl-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one
PubChem CID146218576
Molecular FormulaC19H20F4N4O2
Molecular Weight412.39 g/mol
Exact Mass412.15
IUPAC Name4-(5-fluoro-1-methyl-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one
SMILESCC1c2cc(OC3CCNCC3)c(F)cc2CN1c1cn[nH]c(=O)c1C(F)(F)F
InChIInChI=1S/C19H20F4N4O2/c1-10-13-7-16(29-12-2-4-24-5-3-12)14(20)6-11(13)9-27(10)15-8-25-26-18(28)17(15)19(21,22)23/h6-8,10,12,24H,2-5,9H2,1H3,(H,26,28)
InChIKeyJETLPQITERHTTF-UHFFFAOYSA-N
XLogP3.14
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.39
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(5-fluoro-1-methyl-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US10550105, Example 3
CID 154825670
US10550105, Example 20
CID 154825688
US10550105, Example 44
CID 154825714
US10550105, Example 150
CID 154825828
US10550105, Example 279
CID 154825956
2-[4-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-5-yl]oxy]piperidin-1-yl]acetic acid
CID 146217112
N-(6-aminohexyl)-2-[4-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-5-yl]oxy]piperidin-1-yl]acetamide;hydrochloride
CID 146217116
5-(5-(Piperidin-4-yloxy)isoindolin-2-yl)-4-(trifluoromethyl)pyridazin-3(2H)-one
CID 146217126
tert-butyl N-[6-[[2-[4-[[2-[6-oxo-5-(trifluoromethyl)-1H-pyridazin-4-yl]-1,3-dihydroisoindol-5-yl]oxy]piperidin-1-yl]acetyl]amino]hexyl]carbamate
CID 146217163
4-[4-(oxan-4-yloxy)-1,3-dihydroisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 146218025
4-[5-fluoro-6-(pyrrolidin-2-ylmethoxy)-1,3-dihydroisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 146218128
4-(5-fluoro-6-methoxy-1-methyl-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 146218190

Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-1-methyl-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 4-(5-fluoro-1-methyl-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one (CID 146218576) is 4-(5-fluoro-1-methyl-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 4-(5-fluoro-1-methyl-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 4-(5-fluoro-1-methyl-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one is CC1c2cc(OC3CCNCC3)c(F)cc2CN1c1cn[nH]c(=O)c1C(F)(F)F.
What is the InChIKey of 4-(5-fluoro-1-methyl-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one?
The InChIKey is JETLPQITERHTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F4N4O2/c1-10-13-7-16(29-12-2-4-24-5-3-12)14(20)6-11(13)9-27(10)15-8-25-26-18(28)17(15)19(21,22)23/h6-8,10,12,24H,2-5,9H2,1H3,(H,26,28).
What are the key properties of 4-(5-fluoro-1-methyl-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one?
4-(5-fluoro-1-methyl-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one has a molecular weight of 412.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-1-methyl-6-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-5-(trifluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 146218576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).