6-(4-fluoro-3-methylphenyl)-5-methyl-2-(2-methylpropyl)-4-piperidin-1-ylpyridazin-3-one

C21H28FN3O — CID 67213602

IUPAC6-(4-fluoro-3-methylphenyl)-5-methyl-2-(2-methylpropyl)-4-piperidin-1-ylpyridazin-3-one
SMILESCc1cc(-c2nn(CC(C)C)c(=O)c(N3CCCCC3)c2C)ccc1F
InChIInChI=1S/C21H28FN3O/c1-14(2)13-25-21(26)20(24-10-6-5-7-11-24)16(4)19(23-25)17-8-9-18(22)15(3)12-17/h8-9,12,14H,5-7,10-11,13H2,1-4H3
InChIKeyFUCKPRSWGFXUPQ-UHFFFAOYSA-N
MW357.47 g/mol
LogP4.31
Rot. Bonds4

About 6-(4-fluoro-3-methylphenyl)-5-methyl-2-(2-methylpropyl)-4-piperidin-1-ylpyridazin-3-one

6-(4-fluoro-3-methylphenyl)-5-methyl-2-(2-methylpropyl)-4-piperidin-1-ylpyridazin-3-one (PubChem CID 67213602) has the molecular formula C21H28FN3O and a molecular weight of 357.47 g/mol. Its IUPAC name is 6-(4-fluoro-3-methylphenyl)-5-methyl-2-(2-methylpropyl)-4-piperidin-1-ylpyridazin-3-one.

Molecular Properties

Compound Name6-(4-fluoro-3-methylphenyl)-5-methyl-2-(2-methylpropyl)-4-piperidin-1-ylpyridazin-3-one
PubChem CID67213602
Molecular FormulaC21H28FN3O
Molecular Weight357.47 g/mol
Exact Mass357.22
IUPAC Name6-(4-fluoro-3-methylphenyl)-5-methyl-2-(2-methylpropyl)-4-piperidin-1-ylpyridazin-3-one
SMILESCc1cc(-c2nn(CC(C)C)c(=O)c(N3CCCCC3)c2C)ccc1F
InChIInChI=1S/C21H28FN3O/c1-14(2)13-25-21(26)20(24-10-6-5-7-11-24)16(4)19(23-25)17-8-9-18(22)15(3)12-17/h8-9,12,14H,5-7,10-11,13H2,1-4H3
InChIKeyFUCKPRSWGFXUPQ-UHFFFAOYSA-N
XLogP4.31
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluoro-3-methylphenyl)-5-methyl-2-(2-methylpropyl)-4-piperidin-1-ylpyridazin-3-one?
The IUPAC name of 6-(4-fluoro-3-methylphenyl)-5-methyl-2-(2-methylpropyl)-4-piperidin-1-ylpyridazin-3-one (CID 67213602) is 6-(4-fluoro-3-methylphenyl)-5-methyl-2-(2-methylpropyl)-4-piperidin-1-ylpyridazin-3-one.
What is the SMILES notation for 6-(4-fluoro-3-methylphenyl)-5-methyl-2-(2-methylpropyl)-4-piperidin-1-ylpyridazin-3-one?
The canonical SMILES for 6-(4-fluoro-3-methylphenyl)-5-methyl-2-(2-methylpropyl)-4-piperidin-1-ylpyridazin-3-one is Cc1cc(-c2nn(CC(C)C)c(=O)c(N3CCCCC3)c2C)ccc1F.
What is the InChIKey of 6-(4-fluoro-3-methylphenyl)-5-methyl-2-(2-methylpropyl)-4-piperidin-1-ylpyridazin-3-one?
The InChIKey is FUCKPRSWGFXUPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28FN3O/c1-14(2)13-25-21(26)20(24-10-6-5-7-11-24)16(4)19(23-25)17-8-9-18(22)15(3)12-17/h8-9,12,14H,5-7,10-11,13H2,1-4H3.
What are the key properties of 6-(4-fluoro-3-methylphenyl)-5-methyl-2-(2-methylpropyl)-4-piperidin-1-ylpyridazin-3-one?
6-(4-fluoro-3-methylphenyl)-5-methyl-2-(2-methylpropyl)-4-piperidin-1-ylpyridazin-3-one has a molecular weight of 357.47 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluoro-3-methylphenyl)-5-methyl-2-(2-methylpropyl)-4-piperidin-1-ylpyridazin-3-one is sourced from PubChem (CID 67213602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).