5-[4-[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one

C19H24FN5O2 — CID 45174874

IUPAC5-[4-[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCN(C)C(C(=O)N1CCN(c2cnn(C)c(=O)c2)CC1)c1ccccc1F
InChIInChI=1S/C19H24FN5O2/c1-22(2)18(15-6-4-5-7-16(15)20)19(27)25-10-8-24(9-11-25)14-12-17(26)23(3)21-13-14/h4-7,12-13,18H,8-11H2,1-3H3
InChIKeyIIVYJLXKSHCBSC-UHFFFAOYSA-N
MW373.43 g/mol
LogP0.87
Rot. Bonds4

About 5-[4-[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one

5-[4-[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one (PubChem CID 45174874) has the molecular formula C19H24FN5O2 and a molecular weight of 373.43 g/mol. Its IUPAC name is 5-[4-[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one.

Molecular Properties

Compound Name5-[4-[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one
PubChem CID45174874
Molecular FormulaC19H24FN5O2
Molecular Weight373.43 g/mol
Exact Mass373.19
IUPAC Name5-[4-[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one
SMILESCN(C)C(C(=O)N1CCN(c2cnn(C)c(=O)c2)CC1)c1ccccc1F
InChIInChI=1S/C19H24FN5O2/c1-22(2)18(15-6-4-5-7-16(15)20)19(27)25-10-8-24(9-11-25)14-12-17(26)23(3)21-13-14/h4-7,12-13,18H,8-11H2,1-3H3
InChIKeyIIVYJLXKSHCBSC-UHFFFAOYSA-N
XLogP0.87
TPSA61.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[4-(4-fluorobenzoyl)piperazino]-6-phenyl-3(2H)-pyridazinone
CID 3781100
4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-propan-2-yl-1H-pyridazin-6-one
CID 138472065
5-cyclopropyl-4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-1H-pyridazin-6-one
CID 138483659
4-[4-[(2-methylphenyl)methyl]-3-oxopiperazin-1-yl]-5-(trifluoromethyl)-1H-pyridazin-6-one
CID 138483771
4-Chloro-2-methyl-5-[4-(4-methylbenzoyl)piperazin-1-yl]pyridazin-3-one
CID 2991691
N-[(3,5-Difluorophenyl)methyl]-2-[1-(1-methyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-3-YL]acetamide
CID 91907033
N-[1-(1-Ethyl-6-oxo-1,6-dihydropyridazin-4-YL)piperidin-4-YL]-2-(2-fluorophenyl)acetamide
CID 91911787
4-Methyl-5-[4-[(2-methylphenyl)methyl]-3-oxo-1-piperazinyl]-3(2H)-pyridazinone
CID 138472270
2-(3-chloro-6-oxo-1(6H)-pyridazinyl)-N-[1-(2-fluorobenzyl)-3-piperidinyl]-N-methylacetamide
CID 24817050
2-[2-(4-Acetylpiperazin-1-yl)-2-oxoethyl]phthalazin-1-one
CID 45796147
2-(3-fluorophenyl)-N-(1-methyl-6-oxo-5-piperidin-1-ylpyridazin-4-yl)acetamide
CID 53012191
N-[5-(dimethylamino)-1-methyl-6-oxopyridazin-4-yl]-2-(4-fluorophenyl)acetamide
CID 53102001

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The IUPAC name of 5-[4-[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one (CID 45174874) is 5-[4-[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one.
What is the SMILES notation for 5-[4-[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The canonical SMILES for 5-[4-[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one is CN(C)C(C(=O)N1CCN(c2cnn(C)c(=O)c2)CC1)c1ccccc1F.
What is the InChIKey of 5-[4-[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one?
The InChIKey is IIVYJLXKSHCBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O2/c1-22(2)18(15-6-4-5-7-16(15)20)19(27)25-10-8-24(9-11-25)14-12-17(26)23(3)21-13-14/h4-7,12-13,18H,8-11H2,1-3H3.
What are the key properties of 5-[4-[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one?
5-[4-[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one has a molecular weight of 373.43 g/mol, XLogP of 0.87, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(dimethylamino)-2-(2-fluorophenyl)acetyl]piperazin-1-yl]-2-methylpyridazin-3-one is sourced from PubChem (CID 45174874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).