2-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one

C23H26N4O4 — CID 71714121

IUPAC2-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one
SMILESCOc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1
InChIInChI=1S/C23H26N4O4/c1-16-9-17(13-26(2)3)5-8-21(16)22(28)14-27-23(29)10-20(12-25-27)31-15-18-6-7-19(30-4)11-24-18/h5-12H,13-15H2,1-4H3
InChIKeyACBKFGPDANWBLT-UHFFFAOYSA-N
MW422.49 g/mol
LogP2.48
Rot. Bonds9

About 2-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one

2-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one (PubChem CID 71714121) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one
PubChem CID71714121
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name2-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one
SMILESCOc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1
InChIInChI=1S/C23H26N4O4/c1-16-9-17(13-26(2)3)5-8-21(16)22(28)14-27-23(29)10-20(12-25-27)31-15-18-6-7-19(30-4)11-24-18/h5-12H,13-15H2,1-4H3
InChIKeyACBKFGPDANWBLT-UHFFFAOYSA-N
XLogP2.48
TPSA86.55 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one with MolForge

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Related Compounds

2-[2-[4-(bromomethyl)-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one
CID 86695556
2-[2-[4-(1-bromoethyl)-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one
CID 86695560
2-[2-[4-(ethylaminomethyl)-2-methylphenyl]-2-oxoethyl]-5-phenylmethoxypyridazin-3-one
CID 71730392
2-[2-[4-(2-bromoethyl)phenyl]-2-oxoethyl]-5-[(5-chloro-2-pyridinyl)methoxy]pyridazin-3-one
CID 174573607
2-[(5-bromo-2-pyridinyl)methoxy]-4-methoxybenzoic acid
CID 104795960
2-[2-(2,4-dimethylphenyl)-2-oxoethyl]-6-methoxypyridazin-3-one
CID 105061852
ethane;1-(6-methoxynaphthalen-2-yl)-N,N-dimethylmethanamine
CID 142950158
2-[2-oxo-2-(1,2,3,4-tetrahydroisoquinolin-7-yl)ethyl]-5-phenylmethoxypyridazin-3-one
CID 58042826
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-4-methoxy-2-methylbenzamide
CID 91924053
1-[2-[2-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]-2-oxoethyl]-4-phenylmethoxypyridin-2-one
CID 71730920
1-[4-[(dimethylamino)methyl]-2-hydroxyphenyl]-4-(4-methoxyphenyl)butane-1,3-dione
CID 10593327
methyl 6-[(4-bromo-3,5-dimethylphenoxy)methyl]pyridine-3-carboxylate
CID 107722368

Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one?
The IUPAC name of 2-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one (CID 71714121) is 2-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one.
What is the SMILES notation for 2-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one?
The canonical SMILES for 2-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one is COc1ccc(COc2cnn(CC(=O)c3ccc(CN(C)C)cc3C)c(=O)c2)nc1.
What is the InChIKey of 2-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one?
The InChIKey is ACBKFGPDANWBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-16-9-17(13-26(2)3)5-8-21(16)22(28)14-27-23(29)10-20(12-25-27)31-15-18-6-7-19(30-4)11-24-18/h5-12H,13-15H2,1-4H3.
What are the key properties of 2-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one?
2-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one has a molecular weight of 422.49 g/mol, XLogP of 2.48, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-[(dimethylamino)methyl]-2-methylphenyl]-2-oxoethyl]-5-[(5-methoxy-2-pyridinyl)methoxy]pyridazin-3-one is sourced from PubChem (CID 71714121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).