2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide

C14H11F3N4O2 — CID 154825946

IUPAC2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CN(C1=CN=NC(=O)C1C(F)(F)F)C2
InChIInChI=1S/C14H11F3N4O2/c15-14(16,17)11-10(4-19-20-13(11)23)21-5-7-2-1-3-8(12(18)22)9(7)6-21/h1-4,11H,5-6H2,(H2,18,22)
InChIKeyPUKGUTJQKRDIJD-UHFFFAOYSA-N
MW324.26 g/mol
LogP2.11
Rot. Bonds2

About 2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide

2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide (PubChem CID 154825946) has the molecular formula C14H11F3N4O2 and a molecular weight of 324.26 g/mol. Its IUPAC name is 2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide.

Molecular Properties

Compound Name2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide
PubChem CID154825946
Molecular FormulaC14H11F3N4O2
Molecular Weight324.26 g/mol
Exact Mass324.08
IUPAC Name2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide
SMILESNC(=O)c1cccc2c1CN(C1=CN=NC(=O)C1C(F)(F)F)C2
InChIInChI=1S/C14H11F3N4O2/c15-14(16,17)11-10(4-19-20-13(11)23)21-5-7-2-1-3-8(12(18)22)9(7)6-21/h1-4,11H,5-6H2,(H2,18,22)
InChIKeyPUKGUTJQKRDIJD-UHFFFAOYSA-N
XLogP2.11
TPSA88.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(4,4-difluorocyclohexyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
CID 50943015
US10550105, Example 277
CID 154825954
US10550105, Example 322
CID 154825997
US10550105, Example 327
CID 154826002
US10550105, Example 221
CID 154825898
US10550105, Example 262
CID 154825939
N-ethyl-2,2,2-trifluoro-N-[(6-oxopyrido[2,1-a]isoindol-2-ylidene)methyl]acetamide
CID 138975919
2-[(3R)-3-azido-5,5,5-trifluoro-3-methylpentyl]isoindole-1,3-dione
CID 176438060
2-[2-[3-(Trifluoromethyl)phenyl]ethenyl]-1H-isoindole-1,3(2H)-dione
CID 21998201
1-methyl-3-oxo-2-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]-1H-isoindole-4-carboxamide
CID 49872826
3-oxo-2-[1-[4-(trifluoromethyl)cyclohexyl]piperidin-4-yl]-1H-isoindole-4-carboxamide
CID 50943556
2-[[1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl]methyl]-3-oxo-1H-isoindole-4-carboxamide
CID 50943975

Frequently Asked Questions

What is the IUPAC name of 2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide?
The IUPAC name of 2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide (CID 154825946) is 2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide.
What is the SMILES notation for 2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide?
The canonical SMILES for 2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide is NC(=O)c1cccc2c1CN(C1=CN=NC(=O)C1C(F)(F)F)C2.
What is the InChIKey of 2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide?
The InChIKey is PUKGUTJQKRDIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2/c15-14(16,17)11-10(4-19-20-13(11)23)21-5-7-2-1-3-8(12(18)22)9(7)6-21/h1-4,11H,5-6H2,(H2,18,22).
What are the key properties of 2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide?
2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide has a molecular weight of 324.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-oxo-4-(trifluoromethyl)-4H-pyridazin-5-yl]-1,3-dihydroisoindole-4-carboxamide is sourced from PubChem (CID 154825946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).