5-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one

C30H30Cl2N4O3 — CID 25015563

IUPAC5-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one
SMILESCOc1ccc(CCOc2c(N3CCN(Cc4cccc(Cl)c4Cl)CC3)cnn(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C30H30Cl2N4O3/c1-38-25-12-10-22(11-13-25)14-19-39-29-27(20-33-36(30(29)37)24-7-3-2-4-8-24)35-17-15-34(16-18-35)21-23-6-5-9-26(31)28(23)32/h2-13,20H,14-19,21H2,1H3
InChIKeyYLRVLQKTMYZGLW-UHFFFAOYSA-N
MW565.50 g/mol
LogP5.49
Rot. Bonds9

About 5-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one

5-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one (PubChem CID 25015563) has the molecular formula C30H30Cl2N4O3 and a molecular weight of 565.50 g/mol. Its IUPAC name is 5-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one
PubChem CID25015563
Molecular FormulaC30H30Cl2N4O3
Molecular Weight565.50 g/mol
Exact Mass564.17
IUPAC Name5-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one
SMILESCOc1ccc(CCOc2c(N3CCN(Cc4cccc(Cl)c4Cl)CC3)cnn(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C30H30Cl2N4O3/c1-38-25-12-10-22(11-13-25)14-19-39-29-27(20-33-36(30(29)37)24-7-3-2-4-8-24)35-17-15-34(16-18-35)21-23-6-5-9-26(31)28(23)32/h2-13,20H,14-19,21H2,1H3
InChIKeyYLRVLQKTMYZGLW-UHFFFAOYSA-N
XLogP5.49
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.50
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[4-(furan-3-ylmethyl)piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one
CID 25015274
5-[4-[(2-chloro-3-methylphenyl)methyl]piperazin-1-yl]-2-phenyl-4-phenylmethoxypyridazin-3-one
CID 70881027
5-[4-[(2-ethyl-6-methylphenyl)methyl]piperazin-1-yl]-4-(2-methoxyethoxy)-2-phenylpyridazin-3-one
CID 145479481
1-[[4-[2-(4-methoxyphenoxy)ethyl]phenyl]methyl]-4-phenylpiperazine
CID 155537825
4-chloro-5-[4-(2-methoxyethyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 31921656
methyl 2-[5-chloro-4-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-6-oxopyridazin-1-yl]benzoate
CID 36584336
4-chloro-5-[4-[(3-chlorophenyl)methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 9172556
2-benzyl-4-chloro-5-[4-[(2,5-dimethoxyphenyl)methyl]piperazin-1-yl]pyridazin-3-one
CID 55346574
4-chloro-5-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26044700
4-[(1-methylcyclopropyl)methoxy]-5-[4-[2-(4-methylphenyl)ethylsulfanyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 118350812
4-chloro-5-[4-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 17434295
4-chloro-5-[4-[2-(2,4-dimethoxyphenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 27772240

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one?
The IUPAC name of 5-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one (CID 25015563) is 5-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one.
What is the SMILES notation for 5-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one?
The canonical SMILES for 5-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one is COc1ccc(CCOc2c(N3CCN(Cc4cccc(Cl)c4Cl)CC3)cnn(-c3ccccc3)c2=O)cc1.
What is the InChIKey of 5-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one?
The InChIKey is YLRVLQKTMYZGLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30Cl2N4O3/c1-38-25-12-10-22(11-13-25)14-19-39-29-27(20-33-36(30(29)37)24-7-3-2-4-8-24)35-17-15-34(16-18-35)21-23-6-5-9-26(31)28(23)32/h2-13,20H,14-19,21H2,1H3.
What are the key properties of 5-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one?
5-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one has a molecular weight of 565.50 g/mol, XLogP of 5.49, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2,3-dichlorophenyl)methyl]piperazin-1-yl]-4-[2-(4-methoxyphenyl)ethoxy]-2-phenylpyridazin-3-one is sourced from PubChem (CID 25015563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).