6-[3-(aminomethyl)-4-fluorophenyl]-5-methyl-2-(2-methylpropyl)-4-morpholin-4-ylpyridazin-3-one

C20H27FN4O2 — CID 150418519

IUPAC6-[3-(aminomethyl)-4-fluorophenyl]-5-methyl-2-(2-methylpropyl)-4-morpholin-4-ylpyridazin-3-one
SMILESCc1c(-c2ccc(F)c(CN)c2)nn(CC(C)C)c(=O)c1N1CCOCC1
InChIInChI=1S/C20H27FN4O2/c1-13(2)12-25-20(26)19(24-6-8-27-9-7-24)14(3)18(23-25)15-4-5-17(21)16(10-15)11-22/h4-5,10,13H,6-9,11-12,22H2,1-3H3
InChIKeyHHHBCUWNZGUBAD-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.31
Rot. Bonds5

About 6-[3-(aminomethyl)-4-fluorophenyl]-5-methyl-2-(2-methylpropyl)-4-morpholin-4-ylpyridazin-3-one

6-[3-(aminomethyl)-4-fluorophenyl]-5-methyl-2-(2-methylpropyl)-4-morpholin-4-ylpyridazin-3-one (PubChem CID 150418519) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 6-[3-(aminomethyl)-4-fluorophenyl]-5-methyl-2-(2-methylpropyl)-4-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name6-[3-(aminomethyl)-4-fluorophenyl]-5-methyl-2-(2-methylpropyl)-4-morpholin-4-ylpyridazin-3-one
PubChem CID150418519
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name6-[3-(aminomethyl)-4-fluorophenyl]-5-methyl-2-(2-methylpropyl)-4-morpholin-4-ylpyridazin-3-one
SMILESCc1c(-c2ccc(F)c(CN)c2)nn(CC(C)C)c(=O)c1N1CCOCC1
InChIInChI=1S/C20H27FN4O2/c1-13(2)12-25-20(26)19(24-6-8-27-9-7-24)14(3)18(23-25)15-4-5-17(21)16(10-15)11-22/h4-5,10,13H,6-9,11-12,22H2,1-3H3
InChIKeyHHHBCUWNZGUBAD-UHFFFAOYSA-N
XLogP2.31
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(3-Fluorophenyl)-5-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-YL]-2-(morpholin-4-YL)ethan-1-one
CID 46030786
1-[3-(2,5-Dimethylphenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 46031098
1-[5-(2,5-Dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 46031510
1-[3-(2,4-Dimethylphenyl)-5-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 46031619
1-[(4-fluorophenyl)methyl]-N-[2-(morpholin-4-yl)ethyl]-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 27376481
1-[3,5-Bis(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 46029936
1-[3-(2-Fluorophenyl)-5-(4-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 46030009
1-[3-(4-Fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 46031400
1-[5-(2-Fluorophenyl)-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazol-1-YL]-2-(morpholin-4-YL)ethan-1-one
CID 46031476
1-[5-(2-Fluorophenyl)-3-(3-methylphenyl)-4,5-dihydro-1H-pyrazol-1-YL]-2-(morpholin-4-YL)ethan-1-one
CID 46031487
1-[5-(2,4-Dimethylphenyl)-3-(2-fluorophenyl)-3,4-dihydropyrazol-2-yl]-2-morpholin-4-ylethanone
CID 46031497
5-[methyl(2-phenylethyl)amino]-2-[2-(4-morpholinyl)-2-oxoethyl]-3(2H)-pyridazinone
CID 56914306

Frequently Asked Questions

What is the IUPAC name of 6-[3-(aminomethyl)-4-fluorophenyl]-5-methyl-2-(2-methylpropyl)-4-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 6-[3-(aminomethyl)-4-fluorophenyl]-5-methyl-2-(2-methylpropyl)-4-morpholin-4-ylpyridazin-3-one (CID 150418519) is 6-[3-(aminomethyl)-4-fluorophenyl]-5-methyl-2-(2-methylpropyl)-4-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 6-[3-(aminomethyl)-4-fluorophenyl]-5-methyl-2-(2-methylpropyl)-4-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 6-[3-(aminomethyl)-4-fluorophenyl]-5-methyl-2-(2-methylpropyl)-4-morpholin-4-ylpyridazin-3-one is Cc1c(-c2ccc(F)c(CN)c2)nn(CC(C)C)c(=O)c1N1CCOCC1.
What is the InChIKey of 6-[3-(aminomethyl)-4-fluorophenyl]-5-methyl-2-(2-methylpropyl)-4-morpholin-4-ylpyridazin-3-one?
The InChIKey is HHHBCUWNZGUBAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-13(2)12-25-20(26)19(24-6-8-27-9-7-24)14(3)18(23-25)15-4-5-17(21)16(10-15)11-22/h4-5,10,13H,6-9,11-12,22H2,1-3H3.
What are the key properties of 6-[3-(aminomethyl)-4-fluorophenyl]-5-methyl-2-(2-methylpropyl)-4-morpholin-4-ylpyridazin-3-one?
6-[3-(aminomethyl)-4-fluorophenyl]-5-methyl-2-(2-methylpropyl)-4-morpholin-4-ylpyridazin-3-one has a molecular weight of 374.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(aminomethyl)-4-fluorophenyl]-5-methyl-2-(2-methylpropyl)-4-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 150418519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).