6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-(2-methylphenyl)pyridazin-3-one

C23H23FN4O3 — CID 8549228

IUPAC6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-(2-methylphenyl)pyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccccc2C)nc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H23FN4O3/c1-16-7-3-5-9-18(16)28-21(29)15-20(31-2)22(25-28)23(30)27-13-11-26(12-14-27)19-10-6-4-8-17(19)24/h3-10,15H,11-14H2,1-2H3
InChIKeyAPACCRAHRMCGEM-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.65
Rot. Bonds4

About 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-(2-methylphenyl)pyridazin-3-one

6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-(2-methylphenyl)pyridazin-3-one (PubChem CID 8549228) has the molecular formula C23H23FN4O3 and a molecular weight of 422.46 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-(2-methylphenyl)pyridazin-3-one.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-(2-methylphenyl)pyridazin-3-one
PubChem CID8549228
Molecular FormulaC23H23FN4O3
Molecular Weight422.46 g/mol
Exact Mass422.18
IUPAC Name6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-(2-methylphenyl)pyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccccc2C)nc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C23H23FN4O3/c1-16-7-3-5-9-18(16)28-21(29)15-20(31-2)22(25-28)23(30)27-13-11-26(12-14-27)19-10-6-4-8-17(19)24/h3-10,15H,11-14H2,1-2H3
InChIKeyAPACCRAHRMCGEM-UHFFFAOYSA-N
XLogP2.65
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-(2-methylphenyl)pyridazin-3-one?
The IUPAC name of 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-(2-methylphenyl)pyridazin-3-one (CID 8549228) is 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-(2-methylphenyl)pyridazin-3-one.
What is the SMILES notation for 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-(2-methylphenyl)pyridazin-3-one?
The canonical SMILES for 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-(2-methylphenyl)pyridazin-3-one is COc1cc(=O)n(-c2ccccc2C)nc1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-(2-methylphenyl)pyridazin-3-one?
The InChIKey is APACCRAHRMCGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O3/c1-16-7-3-5-9-18(16)28-21(29)15-20(31-2)22(25-28)23(30)27-13-11-26(12-14-27)19-10-6-4-8-17(19)24/h3-10,15H,11-14H2,1-2H3.
What are the key properties of 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-(2-methylphenyl)pyridazin-3-one?
6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-(2-methylphenyl)pyridazin-3-one has a molecular weight of 422.46 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-(2-methylphenyl)pyridazin-3-one is sourced from PubChem (CID 8549228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).