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

C19H25N5O — CID 161260865

IUPAC5-methyl-4-[4-[methyl(piperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
SMILESCc1c(N2Cc3cccc(N(C)C4CCNCC4)c3C2)cn[nH]c1=O
InChIInChI=1S/C19H25N5O/c1-13-18(10-21-22-19(13)25)24-11-14-4-3-5-17(16(14)12-24)23(2)15-6-8-20-9-7-15/h3-5,10,15,20H,6-9,11-12H2,1-2H3,(H,22,25)
InChIKeyVCNJUVFQPDHQAW-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.79
Rot. Bonds3

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

5-methyl-4-[4-[methyl(piperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one (PubChem CID 161260865) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is 5-methyl-4-[4-[methyl(piperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one.

Molecular Properties

Compound Name5-methyl-4-[4-[methyl(piperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
PubChem CID161260865
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name5-methyl-4-[4-[methyl(piperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one
SMILESCc1c(N2Cc3cccc(N(C)C4CCNCC4)c3C2)cn[nH]c1=O
InChIInChI=1S/C19H25N5O/c1-13-18(10-21-22-19(13)25)24-11-14-4-3-5-17(16(14)12-24)23(2)15-6-8-20-9-7-15/h3-5,10,15,20H,6-9,11-12H2,1-2H3,(H,22,25)
InChIKeyVCNJUVFQPDHQAW-UHFFFAOYSA-N
XLogP1.79
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-[4-[methyl(piperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one?
The IUPAC name of 5-methyl-4-[4-[methyl(piperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one (CID 161260865) is 5-methyl-4-[4-[methyl(piperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one.
What is the SMILES notation for 5-methyl-4-[4-[methyl(piperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one?
The canonical SMILES for 5-methyl-4-[4-[methyl(piperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one is Cc1c(N2Cc3cccc(N(C)C4CCNCC4)c3C2)cn[nH]c1=O.
What is the InChIKey of 5-methyl-4-[4-[methyl(piperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one?
The InChIKey is VCNJUVFQPDHQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-13-18(10-21-22-19(13)25)24-11-14-4-3-5-17(16(14)12-24)23(2)15-6-8-20-9-7-15/h3-5,10,15,20H,6-9,11-12H2,1-2H3,(H,22,25).
What are the key properties of 5-methyl-4-[4-[methyl(piperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one?
5-methyl-4-[4-[methyl(piperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one has a molecular weight of 339.44 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-[4-[methyl(piperidin-4-yl)amino]-1,3-dihydroisoindol-2-yl]-1H-pyridazin-6-one is sourced from PubChem (CID 161260865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).