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

C21H18F2N4O — CID 42110661

IUPAC(2-fluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C21H18F2N4O/c22-16-7-5-15(6-8-16)19-9-10-20(25-24-19)26-11-13-27(14-12-26)21(28)17-3-1-2-4-18(17)23/h1-10H,11-14H2
InChIKeySQUIJPBZVCVXJO-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.38
Rot. Bonds3

About (2-fluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone

(2-fluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 42110661) has the molecular formula C21H18F2N4O and a molecular weight of 380.40 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID42110661
Molecular FormulaC21H18F2N4O
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name(2-fluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1
InChIInChI=1S/C21H18F2N4O/c22-16-7-5-15(6-8-16)19-9-10-20(25-24-19)26-11-13-27(14-12-26)21(28)17-3-1-2-4-18(17)23/h1-10H,11-14H2
InChIKeySQUIJPBZVCVXJO-UHFFFAOYSA-N
XLogP3.38
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone (CID 42110661) is (2-fluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone is O=C(c1ccccc1F)N1CCN(c2ccc(-c3ccc(F)cc3)nn2)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is SQUIJPBZVCVXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F2N4O/c22-16-7-5-15(6-8-16)19-9-10-20(25-24-19)26-11-13-27(14-12-26)21(28)17-3-1-2-4-18(17)23/h1-10H,11-14H2.
What are the key properties of (2-fluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 380.40 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[6-(4-fluorophenyl)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 42110661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).