2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile

C22H19FN6O2 — CID 55456080

IUPAC2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(=O)c(C(=O)N2CCN(c3ncccc3C#N)CC2)nn1-c1ccccc1F
InChIInChI=1S/C22H19FN6O2/c1-15-13-19(30)20(26-29(15)18-7-3-2-6-17(18)23)22(31)28-11-9-27(10-12-28)21-16(14-24)5-4-8-25-21/h2-8,13H,9-12H2,1H3
InChIKeyOFQKOAIOIIMSAF-UHFFFAOYSA-N
MW418.43 g/mol
LogP1.91
Rot. Bonds3

About 2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile

2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile (PubChem CID 55456080) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is 2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
PubChem CID55456080
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(=O)c(C(=O)N2CCN(c3ncccc3C#N)CC2)nn1-c1ccccc1F
InChIInChI=1S/C22H19FN6O2/c1-15-13-19(30)20(26-29(15)18-7-3-2-6-17(18)23)22(31)28-11-9-27(10-12-28)21-16(14-24)5-4-8-25-21/h2-8,13H,9-12H2,1H3
InChIKeyOFQKOAIOIIMSAF-UHFFFAOYSA-N
XLogP1.91
TPSA95.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile (CID 55456080) is 2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile is Cc1cc(=O)c(C(=O)N2CCN(c3ncccc3C#N)CC2)nn1-c1ccccc1F.
What is the InChIKey of 2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
The InChIKey is OFQKOAIOIIMSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c1-15-13-19(30)20(26-29(15)18-7-3-2-6-17(18)23)22(31)28-11-9-27(10-12-28)21-16(14-24)5-4-8-25-21/h2-8,13H,9-12H2,1H3.
What are the key properties of 2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile?
2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile has a molecular weight of 418.43 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carbonyl]piperazin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 55456080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).