(6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

C20H20N6O — CID 109124157

IUPAC(6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Nc2ccccc2)nn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H20N6O/c27-20(26-14-12-25(13-15-26)19-8-4-5-11-21-19)17-9-10-18(24-23-17)22-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,22,24)
InChIKeyJASYXRSOEIXTSV-UHFFFAOYSA-N
MW360.42 g/mol
LogP2.58
Rot. Bonds4

About (6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

(6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109124157) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is (6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109124157
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC Name(6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Nc2ccccc2)nn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H20N6O/c27-20(26-14-12-25(13-15-26)19-8-4-5-11-21-19)17-9-10-18(24-23-17)22-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,22,24)
InChIKeyJASYXRSOEIXTSV-UHFFFAOYSA-N
XLogP2.58
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[6-(4-ethylanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124170
[6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124185
(2-anilinopyrimidin-4-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109310580
4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116967
N-phenyl-4-pyridin-2-ylpiperazine-1-carboxamide
CID 735809
(4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109113370
[6-(3,4-dimethylanilino)pyridazin-3-yl]-(4-phenylpiperazin-1-yl)methanone
CID 109123155
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532
[6-(3-methoxyanilino)pyrimidin-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109353170
3-[[6-(4-pyridin-2-ylpiperazine-1-carbonyl)pyrimidin-4-yl]amino]benzonitrile
CID 109353175
(5-methylpyrazin-2-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347475
[4-[6-(4-methylanilino)pyridazin-3-yl]piperazin-1-yl]-phenylmethanone
CID 7178151

Frequently Asked Questions

What is the IUPAC name of (6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of (6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109124157) is (6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for (6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(Nc2ccccc2)nn1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of (6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is JASYXRSOEIXTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c27-20(26-14-12-25(13-15-26)19-8-4-5-11-21-19)17-9-10-18(24-23-17)22-16-6-2-1-3-7-16/h1-11H,12-15H2,(H,22,24).
What are the key properties of (6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone?
(6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 360.42 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109124157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).