5-[4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one

C19H22F3N5O — CID 154825962

IUPAC5-[4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one
SMILESCN(C)C1CCN(c2cccc3c2CN(C2=CN=NC(=O)C2C(F)(F)F)C3)C1
InChIInChI=1S/C19H22F3N5O/c1-25(2)13-6-7-26(10-13)15-5-3-4-12-9-27(11-14(12)15)16-8-23-24-18(28)17(16)19(20,21)22/h3-5,8,13,17H,6-7,9-11H2,1-2H3
InChIKeyRJWSHDDCIBLGJN-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.15
Rot. Bonds3

About 5-[4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one

5-[4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one (PubChem CID 154825962) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is 5-[4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one.

Molecular Properties

Compound Name5-[4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one
PubChem CID154825962
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC Name5-[4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one
SMILESCN(C)C1CCN(c2cccc3c2CN(C2=CN=NC(=O)C2C(F)(F)F)C3)C1
InChIInChI=1S/C19H22F3N5O/c1-25(2)13-6-7-26(10-13)15-5-3-4-12-9-27(11-14(12)15)16-8-23-24-18(28)17(16)19(20,21)22/h3-5,8,13,17H,6-7,9-11H2,1-2H3
InChIKeyRJWSHDDCIBLGJN-UHFFFAOYSA-N
XLogP3.15
TPSA51.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one with MolForge

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Related Compounds

US10550105, Example 178
CID 154825856
US10550105, Example 179
CID 154825857
US10550105, Example 215
CID 154825892
US10550105, Example 270
CID 154825947
US10550105, Example 281
CID 154825958
US10550105, Example 282
CID 154825959
US10550105, Example 284
CID 154825961
US10550105, Example 301
CID 154825976
US10550105, Example 302
CID 154825977
US10550105, Example 305
CID 154825980
US10550105, Example 306
CID 154825981
US10550105, Example 314
CID 154825989

Frequently Asked Questions

What is the IUPAC name of 5-[4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one?
The IUPAC name of 5-[4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one (CID 154825962) is 5-[4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one.
What is the SMILES notation for 5-[4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one?
The canonical SMILES for 5-[4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one is CN(C)C1CCN(c2cccc3c2CN(C2=CN=NC(=O)C2C(F)(F)F)C3)C1.
What is the InChIKey of 5-[4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one?
The InChIKey is RJWSHDDCIBLGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O/c1-25(2)13-6-7-26(10-13)15-5-3-4-12-9-27(11-14(12)15)16-8-23-24-18(28)17(16)19(20,21)22/h3-5,8,13,17H,6-7,9-11H2,1-2H3.
What are the key properties of 5-[4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one?
5-[4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one has a molecular weight of 393.41 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[3-(dimethylamino)pyrrolidin-1-yl]-1,3-dihydroisoindol-2-yl]-4-(trifluoromethyl)-4H-pyridazin-3-one is sourced from PubChem (CID 154825962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).