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

C22H21FN4O3 — CID 8549150

IUPAC6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H21FN4O3/c1-30-19-15-20(28)27(16-7-3-2-4-8-16)24-21(19)22(29)26-13-11-25(12-14-26)18-10-6-5-9-17(18)23/h2-10,15H,11-14H2,1H3
InChIKeyKPHQXUTXZRUECR-UHFFFAOYSA-N
MW408.43 g/mol
LogP2.34
Rot. Bonds4

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

6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one (PubChem CID 8549150) has the molecular formula C22H21FN4O3 and a molecular weight of 408.43 g/mol. Its IUPAC name is 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one.

Molecular Properties

Compound Name6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
PubChem CID8549150
Molecular FormulaC22H21FN4O3
Molecular Weight408.43 g/mol
Exact Mass408.16
IUPAC Name6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one
SMILESCOc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCN(c2ccccc2F)CC1
InChIInChI=1S/C22H21FN4O3/c1-30-19-15-20(28)27(16-7-3-2-4-8-16)24-21(19)22(29)26-13-11-25(12-14-26)18-10-6-5-9-17(18)23/h2-10,15H,11-14H2,1H3
InChIKeyKPHQXUTXZRUECR-UHFFFAOYSA-N
XLogP2.34
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 52.34
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-phenylpyridazin-3-one?
The IUPAC name of 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one (CID 8549150) is 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one.
What is the SMILES notation for 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one?
The canonical SMILES for 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one is COc1cc(=O)n(-c2ccccc2)nc1C(=O)N1CCN(c2ccccc2F)CC1.
What is the InChIKey of 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one?
The InChIKey is KPHQXUTXZRUECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN4O3/c1-30-19-15-20(28)27(16-7-3-2-4-8-16)24-21(19)22(29)26-13-11-25(12-14-26)18-10-6-5-9-17(18)23/h2-10,15H,11-14H2,1H3.
What are the key properties of 6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one?
6-[4-(2-fluorophenyl)piperazine-1-carbonyl]-5-methoxy-2-phenylpyridazin-3-one has a molecular weight of 408.43 g/mol, XLogP of 2.34, 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-phenylpyridazin-3-one is sourced from PubChem (CID 8549150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).