2-(4-chlorophenyl)-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one

C23H24ClFN4O3 — CID 3591982

IUPAC2-(4-chlorophenyl)-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(CN2CCN(C(=O)C3=NN(c4ccc(Cl)cc4)C(=O)CC3)CC2)cc1F
InChIInChI=1S/C23H24ClFN4O3/c1-32-21-8-2-16(14-19(21)25)15-27-10-12-28(13-11-27)23(31)20-7-9-22(30)29(26-20)18-5-3-17(24)4-6-18/h2-6,8,14H,7,9-13,15H2,1H3
InChIKeyIKIWWUPZRDCZTF-UHFFFAOYSA-N
MW458.92 g/mol
LogP3.31
Rot. Bonds5

About 2-(4-chlorophenyl)-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one

2-(4-chlorophenyl)-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one (PubChem CID 3591982) has the molecular formula C23H24ClFN4O3 and a molecular weight of 458.92 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
PubChem CID3591982
Molecular FormulaC23H24ClFN4O3
Molecular Weight458.92 g/mol
Exact Mass458.15
IUPAC Name2-(4-chlorophenyl)-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one
SMILESCOc1ccc(CN2CCN(C(=O)C3=NN(c4ccc(Cl)cc4)C(=O)CC3)CC2)cc1F
InChIInChI=1S/C23H24ClFN4O3/c1-32-21-8-2-16(14-19(21)25)15-27-10-12-28(13-11-27)23(31)20-7-9-22(30)29(26-20)18-5-3-17(24)4-6-18/h2-6,8,14H,7,9-13,15H2,1H3
InChIKeyIKIWWUPZRDCZTF-UHFFFAOYSA-N
XLogP3.31
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.92
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-(4-chlorophenyl)-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one (CID 3591982) is 2-(4-chlorophenyl)-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-(4-chlorophenyl)-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-(4-chlorophenyl)-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one is COc1ccc(CN2CCN(C(=O)C3=NN(c4ccc(Cl)cc4)C(=O)CC3)CC2)cc1F.
What is the InChIKey of 2-(4-chlorophenyl)-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
The InChIKey is IKIWWUPZRDCZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN4O3/c1-32-21-8-2-16(14-19(21)25)15-27-10-12-28(13-11-27)23(31)20-7-9-22(30)29(26-20)18-5-3-17(24)4-6-18/h2-6,8,14H,7,9-13,15H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one?
2-(4-chlorophenyl)-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one has a molecular weight of 458.92 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazine-1-carbonyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 3591982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).