6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one

C20H28FN5O2 — CID 51117581

IUPAC6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one
SMILESCN(C)CCN1CCN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1
InChIInChI=1S/C20H28FN5O2/c1-23(2)9-10-24-11-13-25(14-12-24)20(28)18-7-8-19(27)26(22-18)15-16-3-5-17(21)6-4-16/h3-6H,7-15H2,1-2H3
InChIKeyLIJDARUFDUHRTR-UHFFFAOYSA-N
MW389.48 g/mol
LogP1.01
Rot. Bonds6

About 6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one

6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one (PubChem CID 51117581) has the molecular formula C20H28FN5O2 and a molecular weight of 389.48 g/mol. Its IUPAC name is 6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one
PubChem CID51117581
Molecular FormulaC20H28FN5O2
Molecular Weight389.48 g/mol
Exact Mass389.22
IUPAC Name6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one
SMILESCN(C)CCN1CCN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1
InChIInChI=1S/C20H28FN5O2/c1-23(2)9-10-24-11-13-25(14-12-24)20(28)18-7-8-19(27)26(22-18)15-16-3-5-17(21)6-4-16/h3-6H,7-15H2,1-2H3
InChIKeyLIJDARUFDUHRTR-UHFFFAOYSA-N
XLogP1.01
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.48
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one?
The IUPAC name of 6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one (CID 51117581) is 6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one?
The canonical SMILES for 6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one is CN(C)CCN1CCN(C(=O)C2=NN(Cc3ccc(F)cc3)C(=O)CC2)CC1.
What is the InChIKey of 6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one?
The InChIKey is LIJDARUFDUHRTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28FN5O2/c1-23(2)9-10-24-11-13-25(14-12-24)20(28)18-7-8-19(27)26(22-18)15-16-3-5-17(21)6-4-16/h3-6H,7-15H2,1-2H3.
What are the key properties of 6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one?
6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one has a molecular weight of 389.48 g/mol, XLogP of 1.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-(dimethylamino)ethyl]piperazine-1-carbonyl]-2-[(4-fluorophenyl)methyl]-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 51117581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).