4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one

C22H21ClN4O2 — CID 26664762

IUPAC4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESCc1cccc(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)c1
InChIInChI=1S/C22H21ClN4O2/c1-16-6-5-7-17(14-16)21(28)26-12-10-25(11-13-26)19-15-24-27(22(29)20(19)23)18-8-3-2-4-9-18/h2-9,14-15H,10-13H2,1H3
InChIKeyWGJHAIFNEHCEGR-UHFFFAOYSA-N
MW408.89 g/mol
LogP3.16
Rot. Bonds3

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

4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one (PubChem CID 26664762) has the molecular formula C22H21ClN4O2 and a molecular weight of 408.89 g/mol. Its IUPAC name is 4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
PubChem CID26664762
Molecular FormulaC22H21ClN4O2
Molecular Weight408.89 g/mol
Exact Mass408.14
IUPAC Name4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESCc1cccc(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)c1
InChIInChI=1S/C22H21ClN4O2/c1-16-6-5-7-17(14-16)21(28)26-12-10-25(11-13-26)19-15-24-27(22(29)20(19)23)18-8-3-2-4-9-18/h2-9,14-15H,10-13H2,1H3
InChIKeyWGJHAIFNEHCEGR-UHFFFAOYSA-N
XLogP3.16
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.89
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-5-[4-[3-(methoxymethyl)benzoyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 27772255
4-chloro-5-[4-(3-methyl-4-nitrobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26664163
5-[4-(4-butoxybenzoyl)piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 5295604
4-chloro-2-phenyl-5-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridazin-3-one
CID 2958911
4-chloro-5-[4-[4-(3-methylbutoxy)benzoyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26702611
5-[4-(2-bromo-4-fluorobenzoyl)piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 26701139
6-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 53081831
4-chloro-5-[4-(4-methylpentanoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26699737
5-[4-[2-(3-bromophenyl)quinoline-4-carbonyl]piperazin-1-yl]-4-chloro-2-phenylpyridazin-3-one
CID 166185499
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
[4-(3,5-dichlorophenyl)piperazin-1-yl]-(3-methylphenyl)methanone
CID 113080334
4-chloro-5-[4-[2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-phenylpyridazin-3-one
CID 26690054

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one (CID 26664762) is 4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one is Cc1cccc(C(=O)N2CCN(c3cnn(-c4ccccc4)c(=O)c3Cl)CC2)c1.
What is the InChIKey of 4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The InChIKey is WGJHAIFNEHCEGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O2/c1-16-6-5-7-17(14-16)21(28)26-12-10-25(11-13-26)19-15-24-27(22(29)20(19)23)18-8-3-2-4-9-18/h2-9,14-15H,10-13H2,1H3.
What are the key properties of 4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one has a molecular weight of 408.89 g/mol, XLogP of 3.16, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-[4-(3-methylbenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 26664762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).