2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one

C24H24FN3O3 — CID 16670141

IUPAC2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)c4cccc(F)c4)CC3)n2)cc1
InChIInChI=1S/C24H24FN3O3/c1-31-21-7-5-18(6-8-21)22-9-10-23(29)28(26-22)16-17-11-13-27(14-12-17)24(30)19-3-2-4-20(25)15-19/h2-10,15,17H,11-14,16H2,1H3
InChIKeyIRMWFBSEKURRPG-UHFFFAOYSA-N
MW421.47 g/mol
LogP3.61
Rot. Bonds5

About 2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one

2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one (PubChem CID 16670141) has the molecular formula C24H24FN3O3 and a molecular weight of 421.47 g/mol. Its IUPAC name is 2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
PubChem CID16670141
Molecular FormulaC24H24FN3O3
Molecular Weight421.47 g/mol
Exact Mass421.18
IUPAC Name2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one
SMILESCOc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)c4cccc(F)c4)CC3)n2)cc1
InChIInChI=1S/C24H24FN3O3/c1-31-21-7-5-18(6-8-21)22-9-10-23(29)28(26-22)16-17-11-13-27(14-12-17)24(30)19-3-2-4-20(25)15-19/h2-10,15,17H,11-14,16H2,1H3
InChIKeyIRMWFBSEKURRPG-UHFFFAOYSA-N
XLogP3.61
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.47
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The IUPAC name of 2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one (CID 16670141) is 2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one.
What is the SMILES notation for 2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The canonical SMILES for 2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one is COc1ccc(-c2ccc(=O)n(CC3CCN(C(=O)c4cccc(F)c4)CC3)n2)cc1.
What is the InChIKey of 2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
The InChIKey is IRMWFBSEKURRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O3/c1-31-21-7-5-18(6-8-21)22-9-10-23(29)28(26-22)16-17-11-13-27(14-12-17)24(30)19-3-2-4-20(25)15-19/h2-10,15,17H,11-14,16H2,1H3.
What are the key properties of 2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one?
2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one has a molecular weight of 421.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-fluorobenzoyl)piperidin-4-yl]methyl]-6-(4-methoxyphenyl)pyridazin-3-one is sourced from PubChem (CID 16670141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).