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

C17H19FN4O2 — CID 149056174

IUPAC4-(5-fluoro-6-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one
SMILESCc1c(N2Cc3cc(F)c(N4CCOCC4)cc3C2)cn[nH]c1=O
InChIInChI=1S/C17H19FN4O2/c1-11-16(8-19-20-17(11)23)22-9-12-6-14(18)15(7-13(12)10-22)21-2-4-24-5-3-21/h6-8H,2-5,9-10H2,1H3,(H,20,23)
InChIKeyQKWLHOLFDFHXJI-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.57
Rot. Bonds2

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

4-(5-fluoro-6-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one (PubChem CID 149056174) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is 4-(5-fluoro-6-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one.

Molecular Properties

Compound Name4-(5-fluoro-6-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one
PubChem CID149056174
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name4-(5-fluoro-6-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one
SMILESCc1c(N2Cc3cc(F)c(N4CCOCC4)cc3C2)cn[nH]c1=O
InChIInChI=1S/C17H19FN4O2/c1-11-16(8-19-20-17(11)23)22-9-12-6-14(18)15(7-13(12)10-22)21-2-4-24-5-3-21/h6-8H,2-5,9-10H2,1H3,(H,20,23)
InChIKeyQKWLHOLFDFHXJI-UHFFFAOYSA-N
XLogP1.57
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-6-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one?
The IUPAC name of 4-(5-fluoro-6-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one (CID 149056174) is 4-(5-fluoro-6-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one.
What is the SMILES notation for 4-(5-fluoro-6-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one?
The canonical SMILES for 4-(5-fluoro-6-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one is Cc1c(N2Cc3cc(F)c(N4CCOCC4)cc3C2)cn[nH]c1=O.
What is the InChIKey of 4-(5-fluoro-6-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one?
The InChIKey is QKWLHOLFDFHXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-11-16(8-19-20-17(11)23)22-9-12-6-14(18)15(7-13(12)10-22)21-2-4-24-5-3-21/h6-8H,2-5,9-10H2,1H3,(H,20,23).
What are the key properties of 4-(5-fluoro-6-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one?
4-(5-fluoro-6-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one has a molecular weight of 330.36 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-6-morpholin-4-yl-1,3-dihydroisoindol-2-yl)-5-methyl-1H-pyridazin-6-one is sourced from PubChem (CID 149056174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).