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

C17H15N5O2 — CID 153018537

IUPAC5-methyl-4-(4-pyrimidin-4-yloxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
SMILESCc1c(N2Cc3cccc(Oc4ccncn4)c3C2)cn[nH]c1=O
InChIInChI=1S/C17H15N5O2/c1-11-14(7-20-21-17(11)23)22-8-12-3-2-4-15(13(12)9-22)24-16-5-6-18-10-19-16/h2-7,10H,8-9H2,1H3,(H,21,23)
InChIKeyVBLUJTAWSCJYBO-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.18
Rot. Bonds3

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

5-methyl-4-(4-pyrimidin-4-yloxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one (PubChem CID 153018537) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 5-methyl-4-(4-pyrimidin-4-yloxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-methyl-4-(4-pyrimidin-4-yloxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
PubChem CID153018537
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name5-methyl-4-(4-pyrimidin-4-yloxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
SMILESCc1c(N2Cc3cccc(Oc4ccncn4)c3C2)cn[nH]c1=O
InChIInChI=1S/C17H15N5O2/c1-11-14(7-20-21-17(11)23)22-8-12-3-2-4-15(13(12)9-22)24-16-5-6-18-10-19-16/h2-7,10H,8-9H2,1H3,(H,21,23)
InChIKeyVBLUJTAWSCJYBO-UHFFFAOYSA-N
XLogP2.18
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-4-[4-(pyridin-4-ylmethoxy)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
CID 159417777
5-methyl-4-[4-(methylamino)-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
CID 148776849
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-[(pyridin-4-ylmethylamino)methyl]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
CID 146757152
4-[4-(1-acetylpiperidin-4-yl)oxy-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one
CID 160581923
5-chloro-4-(4-methoxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
CID 146218622
4-[4-(1-pyridin-4-ylethoxy)-1,3-dihydroisoindol-2-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 146218785
4-[4-(3-aminopiperidin-1-yl)-1,3-dihydroisoindol-2-yl]-5-methyl-1H-pyridazin-6-one
CID 162002992
5-methyl-4-[4-[methyl(piperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
CID 161260865
6-[4-[3-[2-[[2-(5-methyl-6-oxo-1H-pyridazin-4-yl)-1,3-dihydroisoindol-4-yl]oxy]ethylamino]propanoyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 149164608
5-chloro-4-(4-octan-4-yloxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one
CID 153358193
5-methyl-4-[4-[methyl-[[(2R)-oxolan-2-yl]methyl]amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
CID 157069642

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(4-pyrimidin-4-yloxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one?
The IUPAC name of 5-methyl-4-(4-pyrimidin-4-yloxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one (CID 153018537) is 5-methyl-4-(4-pyrimidin-4-yloxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one.
What is the SMILES notation for 5-methyl-4-(4-pyrimidin-4-yloxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one?
The canonical SMILES for 5-methyl-4-(4-pyrimidin-4-yloxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one is Cc1c(N2Cc3cccc(Oc4ccncn4)c3C2)cn[nH]c1=O.
What is the InChIKey of 5-methyl-4-(4-pyrimidin-4-yloxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one?
The InChIKey is VBLUJTAWSCJYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-11-14(7-20-21-17(11)23)22-8-12-3-2-4-15(13(12)9-22)24-16-5-6-18-10-19-16/h2-7,10H,8-9H2,1H3,(H,21,23).
What are the key properties of 5-methyl-4-(4-pyrimidin-4-yloxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one?
5-methyl-4-(4-pyrimidin-4-yloxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one has a molecular weight of 321.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(4-pyrimidin-4-yloxy-1,3-dihydroisoindol-2-yl)-1H-pyridazin-6-one is sourced from PubChem (CID 153018537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).