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

C21H18ClFN4O2 — CID 1284591

IUPAC4-chloro-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESO=C(c1ccc(F)cc1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C21H18ClFN4O2/c22-19-18(14-24-27(21(19)29)17-4-2-1-3-5-17)25-10-12-26(13-11-25)20(28)15-6-8-16(23)9-7-15/h1-9,14H,10-13H2
InChIKeyFPSSEQFVWNOKCQ-UHFFFAOYSA-N
MW412.85 g/mol
LogP2.99
Rot. Bonds3

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

4-chloro-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one (PubChem CID 1284591) has the molecular formula C21H18ClFN4O2 and a molecular weight of 412.85 g/mol. Its IUPAC name is 4-chloro-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
PubChem CID1284591
Molecular FormulaC21H18ClFN4O2
Molecular Weight412.85 g/mol
Exact Mass412.11
IUPAC Name4-chloro-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one
SMILESO=C(c1ccc(F)cc1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1
InChIInChI=1S/C21H18ClFN4O2/c22-19-18(14-24-27(21(19)29)17-4-2-1-3-5-17)25-10-12-26(13-11-25)20(28)15-6-8-16(23)9-7-15/h1-9,14H,10-13H2
InChIKeyFPSSEQFVWNOKCQ-UHFFFAOYSA-N
XLogP2.99
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.85
LogP ≤ 52.99
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-(4-fluorobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The IUPAC name of 4-chloro-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one (CID 1284591) is 4-chloro-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one.
What is the SMILES notation for 4-chloro-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The canonical SMILES for 4-chloro-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one is O=C(c1ccc(F)cc1)N1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1.
What is the InChIKey of 4-chloro-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
The InChIKey is FPSSEQFVWNOKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClFN4O2/c22-19-18(14-24-27(21(19)29)17-4-2-1-3-5-17)25-10-12-26(13-11-25)20(28)15-6-8-16(23)9-7-15/h1-9,14H,10-13H2.
What are the key properties of 4-chloro-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one?
4-chloro-5-[4-(4-fluorobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one has a molecular weight of 412.85 g/mol, XLogP of 2.99, 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-(4-fluorobenzoyl)piperazin-1-yl]-2-phenylpyridazin-3-one is sourced from PubChem (CID 1284591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).