2-(3-chlorophenyl)-5-[4-[3-methoxy-2-(methoxymethyl)propyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one

C25H35ClN4O4 — CID 118350717

IUPAC2-(3-chlorophenyl)-5-[4-[3-methoxy-2-(methoxymethyl)propyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
SMILESCOCC(COC)CN1CCN(c2cnn(-c3cccc(Cl)c3)c(=O)c2OCC2(C)CC2)CC1
InChIInChI=1S/C25H35ClN4O4/c1-25(7-8-25)18-34-23-22(14-27-30(24(23)31)21-6-4-5-20(26)13-21)29-11-9-28(10-12-29)15-19(16-32-2)17-33-3/h4-6,13-14,19H,7-12,15-18H2,1-3H3
InChIKeyMJGJBQYZODLBPY-UHFFFAOYSA-N
MW491.03 g/mol
LogP3.10
Rot. Bonds11

About 2-(3-chlorophenyl)-5-[4-[3-methoxy-2-(methoxymethyl)propyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one

2-(3-chlorophenyl)-5-[4-[3-methoxy-2-(methoxymethyl)propyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one (PubChem CID 118350717) has the molecular formula C25H35ClN4O4 and a molecular weight of 491.03 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-5-[4-[3-methoxy-2-(methoxymethyl)propyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-5-[4-[3-methoxy-2-(methoxymethyl)propyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
PubChem CID118350717
Molecular FormulaC25H35ClN4O4
Molecular Weight491.03 g/mol
Exact Mass490.23
IUPAC Name2-(3-chlorophenyl)-5-[4-[3-methoxy-2-(methoxymethyl)propyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
SMILESCOCC(COC)CN1CCN(c2cnn(-c3cccc(Cl)c3)c(=O)c2OCC2(C)CC2)CC1
InChIInChI=1S/C25H35ClN4O4/c1-25(7-8-25)18-34-23-22(14-27-30(24(23)31)21-6-4-5-20(26)13-21)29-11-9-28(10-12-29)15-19(16-32-2)17-33-3/h4-6,13-14,19H,7-12,15-18H2,1-3H3
InChIKeyMJGJBQYZODLBPY-UHFFFAOYSA-N
XLogP3.10
TPSA69.06 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.03
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-chlorophenyl)-5-[4-[ethoxy(nitro)phosphoryl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
CID 145479018
5-[4-[(4-amino-3-methylphenyl)methylsulfonyl]piperazin-1-yl]-2-(3-chlorophenyl)-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
CID 25074273
4-butoxy-5-[4-[(4-butoxyphenyl)methylsulfonyl]piperazin-1-yl]-2-(3-chlorophenyl)pyridazin-3-one;5-[4-[(4-butoxyphenyl)methylsulfonyl]piperazin-1-yl]-2-(3-chlorophenyl)-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;2-(3-chlorophenyl)-5-[4-[(4-iodophenyl)methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
CID 161198646
5-[4-[(5-amino-2-fluorophenyl)methylsulfonyl]piperazin-1-yl]-2-(3-chlorophenyl)-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
CID 25069875
2-(3-chlorophenyl)-5-[4-[(3-iodophenyl)methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;2-(3-chlorophenyl)-4-[(1-methylcyclopropyl)methoxy]-5-[4-[(3-methylsulfonylphenyl)methylsulfonyl]piperazin-1-yl]pyridazin-3-one
CID 162229954
2-(3-ethenylphenyl)-4-[(1-methylcyclopropyl)methoxy]-5-piperazin-1-ylpyridazin-3-one
CID 145478723
2-(3-chlorophenyl)-5-[4-[(3,5-dimethoxy-2-nitrophenyl)methylsulfinyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
CID 118350859
CID 163513563
CID 163513563
N-[4-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]acetamide;N-[4-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-N-methylacetamide
CID 158163759
2-(3-chlorophenyl)-5-[4-[[3-(2-hydroxypropylamino)phenyl]methylsulfonyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one;3-[3-[[4-[1-(3-chlorophenyl)-5-[(1-methylcyclopropyl)methoxy]-6-oxopyridazin-4-yl]piperazin-1-yl]sulfonylmethyl]phenyl]-5-methyl-1,3-oxazolidin-2-one
CID 159444803
5-[4-[(3-aminophenyl)methylsulfinyl]piperazin-1-yl]-2-(3,5-difluorophenyl)-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one
CID 118350613
4-[(1-methylcyclopropyl)methoxy]-5-[4-[2-(4-methylphenyl)ethylsulfanyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 118350812

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-5-[4-[3-methoxy-2-(methoxymethyl)propyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one?
The IUPAC name of 2-(3-chlorophenyl)-5-[4-[3-methoxy-2-(methoxymethyl)propyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one (CID 118350717) is 2-(3-chlorophenyl)-5-[4-[3-methoxy-2-(methoxymethyl)propyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one.
What is the SMILES notation for 2-(3-chlorophenyl)-5-[4-[3-methoxy-2-(methoxymethyl)propyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one?
The canonical SMILES for 2-(3-chlorophenyl)-5-[4-[3-methoxy-2-(methoxymethyl)propyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one is COCC(COC)CN1CCN(c2cnn(-c3cccc(Cl)c3)c(=O)c2OCC2(C)CC2)CC1.
What is the InChIKey of 2-(3-chlorophenyl)-5-[4-[3-methoxy-2-(methoxymethyl)propyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one?
The InChIKey is MJGJBQYZODLBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35ClN4O4/c1-25(7-8-25)18-34-23-22(14-27-30(24(23)31)21-6-4-5-20(26)13-21)29-11-9-28(10-12-29)15-19(16-32-2)17-33-3/h4-6,13-14,19H,7-12,15-18H2,1-3H3.
What are the key properties of 2-(3-chlorophenyl)-5-[4-[3-methoxy-2-(methoxymethyl)propyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one?
2-(3-chlorophenyl)-5-[4-[3-methoxy-2-(methoxymethyl)propyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one has a molecular weight of 491.03 g/mol, XLogP of 3.10, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-5-[4-[3-methoxy-2-(methoxymethyl)propyl]piperazin-1-yl]-4-[(1-methylcyclopropyl)methoxy]pyridazin-3-one is sourced from PubChem (CID 118350717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).