2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide

C22H21ClFN5O2 — CID 29107591

IUPAC2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)Nc1cccc(F)c1
InChIInChI=1S/C22H21ClFN5O2/c23-21-19(14-25-29(22(21)31)18-7-2-1-3-8-18)28-11-9-27(10-12-28)15-20(30)26-17-6-4-5-16(24)13-17/h1-8,13-14H,9-12,15H2,(H,26,30)
InChIKeyYKXYAYDQHGAZLN-UHFFFAOYSA-N
MW441.89 g/mol
LogP2.79
Rot. Bonds5

About 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide

2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide (PubChem CID 29107591) has the molecular formula C22H21ClFN5O2 and a molecular weight of 441.89 g/mol. Its IUPAC name is 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
PubChem CID29107591
Molecular FormulaC22H21ClFN5O2
Molecular Weight441.89 g/mol
Exact Mass441.14
IUPAC Name2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide
SMILESO=C(CN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)Nc1cccc(F)c1
InChIInChI=1S/C22H21ClFN5O2/c23-21-19(14-25-29(22(21)31)18-7-2-1-3-8-18)28-11-9-27(10-12-28)15-20(30)26-17-6-4-5-16(24)13-17/h1-8,13-14H,9-12,15H2,(H,26,30)
InChIKeyYKXYAYDQHGAZLN-UHFFFAOYSA-N
XLogP2.79
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.89
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide (CID 29107591) is 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide is O=C(CN1CCN(c2cnn(-c3ccccc3)c(=O)c2Cl)CC1)Nc1cccc(F)c1.
What is the InChIKey of 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
The InChIKey is YKXYAYDQHGAZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN5O2/c23-21-19(14-25-29(22(21)31)18-7-2-1-3-8-18)28-11-9-27(10-12-28)15-20(30)26-17-6-4-5-16(24)13-17/h1-8,13-14H,9-12,15H2,(H,26,30).
What are the key properties of 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide?
2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide has a molecular weight of 441.89 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-chloro-6-oxo-1-phenylpyridazin-4-yl)piperazin-1-yl]-N-(3-fluorophenyl)acetamide is sourced from PubChem (CID 29107591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).