6-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one

C20H18N4O4 — CID 165406380

IUPAC6-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one
SMILESCOc1ccc(COc2ccc3c(c2)C(=O)N(c2ccc(=O)n(C)n2)C3)nc1
InChIInChI=1S/C20H18N4O4/c1-23-19(25)8-7-18(22-23)24-11-13-3-5-15(9-17(13)20(24)26)28-12-14-4-6-16(27-2)10-21-14/h3-10H,11-12H2,1-2H3
InChIKeyVWCZSOPMRWQAHF-UHFFFAOYSA-N
MW378.39 g/mol
LogP1.92
Rot. Bonds5

About 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one

6-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one (PubChem CID 165406380) has the molecular formula C20H18N4O4 and a molecular weight of 378.39 g/mol. Its IUPAC name is 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one.

Molecular Properties

Compound Name6-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one
PubChem CID165406380
Molecular FormulaC20H18N4O4
Molecular Weight378.39 g/mol
Exact Mass378.13
IUPAC Name6-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one
SMILESCOc1ccc(COc2ccc3c(c2)C(=O)N(c2ccc(=O)n(C)n2)C3)nc1
InChIInChI=1S/C20H18N4O4/c1-23-19(25)8-7-18(22-23)24-11-13-3-5-15(9-17(13)20(24)26)28-12-14-4-6-16(27-2)10-21-14/h3-10H,11-12H2,1-2H3
InChIKeyVWCZSOPMRWQAHF-UHFFFAOYSA-N
XLogP1.92
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one with MolForge

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Launch Full Analysis

Related Compounds

[6-[[2-(1-methyl-6-oxopyridazin-3-yl)-1-oxo-3H-isoindol-5-yl]oxymethyl]-3-pyridinyl] sulfite
CID 165406481
5-[(6-fluoro-5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one
CID 165406376
6-(1-methyl-6-oxopyridazin-3-yl)-3-[[5-(1,1,2,2-tetradeuterio-2-fluoroethoxy)-2-pyridinyl]methoxy]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 166011764
dipotassium;5-[(5-methoxy-2-pyridinyl)methoxy]-2-[6-oxo-1-(2-trimethylsilylethoxymethyl)pyridazin-3-yl]-3H-isoindol-1-one;carbonate
CID 174189987
CID 165406400
CID 165406400
6-methoxy-2-(1-methylpyrrolo[2,3-c]pyridin-5-yl)-3H-isoindol-1-one
CID 42597486
5-[(5-fluoro-4-methoxy-2-pyridinyl)methoxy]-2-(6-oxo-1H-pyridazin-3-yl)-3H-isoindol-1-one
CID 165406387
7-[(5-methoxy-2-pyridinyl)methoxy]-1,2,3,4-tetrahydroisoquinoline
CID 156505098
7-[(5-methoxy-2-pyridinyl)methoxy]-3,4-dihydro-1H-isoquinoline-2-carbonyl chloride;hydrochloride
CID 162459106
2-methyl-6-[5-[(5-propoxy-2-pyridinyl)methoxy]-1,3-benzoxazol-2-yl]pyridazin-3-one
CID 155091413
5-[(4-fluoro-5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-methylidenepyridazin-3-yl)-3H-isoindol-1-one
CID 167650738
5-(5-methoxy-3-oxo-1H-isoindol-2-yl)-1,3-dimethylbenzimidazol-2-one
CID 42597249

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one?
The IUPAC name of 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one (CID 165406380) is 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one.
What is the SMILES notation for 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one?
The canonical SMILES for 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one is COc1ccc(COc2ccc3c(c2)C(=O)N(c2ccc(=O)n(C)n2)C3)nc1.
What is the InChIKey of 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one?
The InChIKey is VWCZSOPMRWQAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O4/c1-23-19(25)8-7-18(22-23)24-11-13-3-5-15(9-17(13)20(24)26)28-12-14-4-6-16(27-2)10-21-14/h3-10H,11-12H2,1-2H3.
What are the key properties of 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one?
6-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one has a molecular weight of 378.39 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methoxy-2-pyridinyl)methoxy]-2-(1-methyl-6-oxopyridazin-3-yl)-3H-isoindol-1-one is sourced from PubChem (CID 165406380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).