5-methyl-4-[4-(pyridin-4-ylmethoxy)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one

C19H18N4O2 — CID 159417777

IUPAC5-methyl-4-[4-(pyridin-4-ylmethoxy)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
SMILESCc1c(N2Cc3cccc(OCc4ccncc4)c3C2)cn[nH]c1=O
InChIInChI=1S/C19H18N4O2/c1-13-17(9-21-22-19(13)24)23-10-15-3-2-4-18(16(15)11-23)25-12-14-5-7-20-8-6-14/h2-9H,10-12H2,1H3,(H,22,24)
InChIKeyLPJMKYKHCWCTEH-UHFFFAOYSA-N
MW334.38 g/mol
LogP2.57
Rot. Bonds4

About 5-methyl-4-[4-(pyridin-4-ylmethoxy)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one

5-methyl-4-[4-(pyridin-4-ylmethoxy)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one (PubChem CID 159417777) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-methyl-4-[4-(pyridin-4-ylmethoxy)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-methyl-4-[4-(pyridin-4-ylmethoxy)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
PubChem CID159417777
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name5-methyl-4-[4-(pyridin-4-ylmethoxy)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
SMILESCc1c(N2Cc3cccc(OCc4ccncc4)c3C2)cn[nH]c1=O
InChIInChI=1S/C19H18N4O2/c1-13-17(9-21-22-19(13)24)23-10-15-3-2-4-18(16(15)11-23)25-12-14-5-7-20-8-6-14/h2-9H,10-12H2,1H3,(H,22,24)
InChIKeyLPJMKYKHCWCTEH-UHFFFAOYSA-N
XLogP2.57
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-methyl-4-[4-(pyridin-4-ylmethoxy)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one with MolForge

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Related Compounds

5-methyl-4-(4-pyrimidin-4-yloxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
CID 153018537
5-methyl-4-[4-[(pyridin-4-ylmethylamino)methyl]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
CID 146757152
N-methyl-N-[2-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-4-yl]oxy]ethyl]acetamide
CID 161006559
5-methyl-4-[4-(methylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
CID 148776849
4-[4-(1-acetylpiperidin-4-yl)oxy-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one
CID 160581923
5-chloro-4-(4-propoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one;3-methyl-1-propoxybutane
CID 153358275
5-isocyano-4-(4-piperidin-4-yloxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
CID 153446883
4-[5-(2-hydroxyethoxy)-6,7-didehydro-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one
CID 170220326
4-[(2-fluoro-3-methylphenoxy)methyl]pyridine
CID 107661921
5-methyl-4-piperazin-1-yl-1H-pyridazin-6-one
CID 23018250
2-(2-methylbutan-2-yl)-4-phenylmethoxy-1,3-dihydroisoindole
CID 175278665
1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride
CID 67387967

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-(pyridin-4-ylmethoxy)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-methyl-4-[4-(pyridin-4-ylmethoxy)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one (CID 159417777) is 5-methyl-4-[4-(pyridin-4-ylmethoxy)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-methyl-4-[4-(pyridin-4-ylmethoxy)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-methyl-4-[4-(pyridin-4-ylmethoxy)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one is Cc1c(N2Cc3cccc(OCc4ccncc4)c3C2)cn[nH]c1=O.
What is the InChIKey of 5-methyl-4-[4-(pyridin-4-ylmethoxy)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one?
The InChIKey is LPJMKYKHCWCTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-13-17(9-21-22-19(13)24)23-10-15-3-2-4-18(16(15)11-23)25-12-14-5-7-20-8-6-14/h2-9H,10-12H2,1H3,(H,22,24).
What are the key properties of 5-methyl-4-[4-(pyridin-4-ylmethoxy)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one?
5-methyl-4-[4-(pyridin-4-ylmethoxy)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one has a molecular weight of 334.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-(pyridin-4-ylmethoxy)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 159417777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).