[4-(6-chloropyridazin-3-yl)-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone

C16H16ClFN4O — CID 90060794

IUPAC[4-(6-chloropyridazin-3-yl)-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3ccc(Cl)nn3)cc2F)CC1
InChIInChI=1S/C16H16ClFN4O/c1-21-6-8-22(9-7-21)16(23)12-3-2-11(10-13(12)18)14-4-5-15(17)20-19-14/h2-5,10H,6-9H2,1H3
InChIKeyNNWJSRKNNQLEOM-UHFFFAOYSA-N
MW334.78 g/mol
LogP2.32
Rot. Bonds2

About [4-(6-chloropyridazin-3-yl)-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone

[4-(6-chloropyridazin-3-yl)-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 90060794) has the molecular formula C16H16ClFN4O and a molecular weight of 334.78 g/mol. Its IUPAC name is [4-(6-chloropyridazin-3-yl)-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(6-chloropyridazin-3-yl)-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID90060794
Molecular FormulaC16H16ClFN4O
Molecular Weight334.78 g/mol
Exact Mass334.10
IUPAC Name[4-(6-chloropyridazin-3-yl)-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2ccc(-c3ccc(Cl)nn3)cc2F)CC1
InChIInChI=1S/C16H16ClFN4O/c1-21-6-8-22(9-7-21)16(23)12-3-2-11(10-13(12)18)14-4-5-15(17)20-19-14/h2-5,10H,6-9H2,1H3
InChIKeyNNWJSRKNNQLEOM-UHFFFAOYSA-N
XLogP2.32
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.78
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(6-chloropyridazin-3-yl)-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(6-chloropyridazin-3-yl)-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone (CID 90060794) is [4-(6-chloropyridazin-3-yl)-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(6-chloropyridazin-3-yl)-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(6-chloropyridazin-3-yl)-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2ccc(-c3ccc(Cl)nn3)cc2F)CC1.
What is the InChIKey of [4-(6-chloropyridazin-3-yl)-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is NNWJSRKNNQLEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN4O/c1-21-6-8-22(9-7-21)16(23)12-3-2-11(10-13(12)18)14-4-5-15(17)20-19-14/h2-5,10H,6-9H2,1H3.
What are the key properties of [4-(6-chloropyridazin-3-yl)-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone?
[4-(6-chloropyridazin-3-yl)-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 334.78 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-chloropyridazin-3-yl)-2-fluorophenyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 90060794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).