(3,4-difluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone

C21H17F3N4O — CID 42110662

IUPAC(3,4-difluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C21H17F3N4O/c22-16-4-1-14(2-5-16)19-7-8-20(26-25-19)27-9-11-28(12-10-27)21(29)15-3-6-17(23)18(24)13-15/h1-8,13H,9-12H2
InChIKeyJDVFMMZIFASQGW-UHFFFAOYSA-N
MW398.39 g/mol
LogP3.52
Rot. Bonds3

About (3,4-difluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone

(3,4-difluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 42110662) has the molecular formula C21H17F3N4O and a molecular weight of 398.39 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID42110662
Molecular FormulaC21H17F3N4O
Molecular Weight398.39 g/mol
Exact Mass398.14
IUPAC Name(3,4-difluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C21H17F3N4O/c22-16-4-1-14(2-5-16)19-7-8-20(26-25-19)27-9-11-28(12-10-27)21(29)15-3-6-17(23)18(24)13-15/h1-8,13H,9-12H2
InChIKeyJDVFMMZIFASQGW-UHFFFAOYSA-N
XLogP3.52
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.39
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (3,4-difluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 42110662) is (3,4-difluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,4-difluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (3,4-difluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone is O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1.
What is the InChIKey of (3,4-difluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is JDVFMMZIFASQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O/c22-16-4-1-14(2-5-16)19-7-8-20(26-25-19)27-9-11-28(12-10-27)21(29)15-3-6-17(23)18(24)13-15/h1-8,13H,9-12H2.
What are the key properties of (3,4-difluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
(3,4-difluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 398.39 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 42110662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).