4-chloro-5-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one

C22H19Cl2FN4O2 — CID 26664387

IUPAC4-chloro-5-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESO=C(Cc1c(F)cccc1Cl)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C22H19Cl2FN4O2/c23-17-7-4-8-18(25)16(17)13-20(30)28-11-9-27(10-12-28)19-14-26-29(22(31)21(19)24)15-5-2-1-3-6-15/h1-8,14H,9-13H2
InChIKeyRKRVWXVFHLFQDC-UHFFFAOYSA-N
MW461.32 g/mol
LogP3.57
Rot. Bonds4

About 4-chloro-5-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one

4-chloro-5-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one (PubChem CID 26664387) has the molecular formula C22H19Cl2FN4O2 and a molecular weight of 461.32 g/mol. Its IUPAC name is 4-chloro-5-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one
PubChem CID26664387
Molecular FormulaC22H19Cl2FN4O2
Molecular Weight461.32 g/mol
Exact Mass460.09
IUPAC Name4-chloro-5-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESO=C(Cc1c(F)cccc1Cl)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C22H19Cl2FN4O2/c23-17-7-4-8-18(25)16(17)13-20(30)28-11-9-27(10-12-28)19-14-26-29(22(31)21(19)24)15-5-2-1-3-6-15/h1-8,14H,9-13H2
InChIKeyRKRVWXVFHLFQDC-UHFFFAOYSA-N
XLogP3.57
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.32
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one (CID 26664387) is 4-chloro-5-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one is O=C(Cc1c(F)cccc1Cl)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1.
What is the InChIKey of 4-chloro-5-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one?
The InChIKey is RKRVWXVFHLFQDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2FN4O2/c23-17-7-4-8-18(25)16(17)13-20(30)28-11-9-27(10-12-28)19-14-26-29(22(31)21(19)24)15-5-2-1-3-6-15/h1-8,14H,9-13H2.
What are the key properties of 4-chloro-5-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one?
4-chloro-5-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one has a molecular weight of 461.32 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-[2-(2-chloro-6-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 26664387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).