[6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

C20H18F2N6O — CID 109124185

IUPAC[6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Nc2c(F)cccc2F)nn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H18F2N6O/c21-14-4-3-5-15(22)19(14)24-17-8-7-16(25-26-17)20(29)28-12-10-27(11-13-28)18-6-1-2-9-23-18/h1-9H,10-13H2,(H,24,26)
InChIKeyZHNAIZNFMNPHFL-UHFFFAOYSA-N
MW396.40 g/mol
LogP2.86
Rot. Bonds4

About [6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone

[6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (PubChem CID 109124185) has the molecular formula C20H18F2N6O and a molecular weight of 396.40 g/mol. Its IUPAC name is [6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
PubChem CID109124185
Molecular FormulaC20H18F2N6O
Molecular Weight396.40 g/mol
Exact Mass396.15
IUPAC Name[6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
SMILESO=C(c1ccc(Nc2c(F)cccc2F)nn1)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C20H18F2N6O/c21-14-4-3-5-15(22)19(14)24-17-8-7-16(25-26-17)20(29)28-12-10-27(11-13-28)18-6-1-2-9-23-18/h1-9H,10-13H2,(H,24,26)
InChIKeyZHNAIZNFMNPHFL-UHFFFAOYSA-N
XLogP2.86
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6-anilinopyridazin-3-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124157
[6-(4-ethylanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109124170
[6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-methylpiperidin-1-yl)methanone
CID 109113489
4-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine-3-carbonyl]piperazine-1-carbaldehyde
CID 109116967
[6-(2,6-difluoroanilino)pyridazin-3-yl]-(3-methylpiperidin-1-yl)methanone
CID 109126136
(4-methylpiperidin-1-yl)-[6-(4-pyridin-2-ylpiperazin-1-yl)pyridazin-3-yl]methanone
CID 109113370
(2R)-N-(2,6-difluorophenyl)-2-(4-pyridin-2-ylpiperazin-1-yl)propanamide
CID 9459314
[5-(2,6-difluoroanilino)-2-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109193428
[6-(cyclohexylamino)pyridazin-3-yl]-[4-(2-fluorophenyl)piperazin-1-yl]methanone
CID 109112866
[2-(2,6-dimethylanilino)-4-pyridinyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 109174568
(4-pyridin-2-ylpiperazin-1-yl)-quinolin-2-ylmethanone
CID 3691532
(4-pyridin-2-ylpiperazin-1-yl)-(4-pyrrolidin-1-yl-2-pyridinyl)methanone
CID 109203865

Frequently Asked Questions

What is the IUPAC name of [6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone (CID 109124185) is [6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is O=C(c1ccc(Nc2c(F)cccc2F)nn1)N1CCN(c2ccccn2)CC1.
What is the InChIKey of [6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
The InChIKey is ZHNAIZNFMNPHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N6O/c21-14-4-3-5-15(22)19(14)24-17-8-7-16(25-26-17)20(29)28-12-10-27(11-13-28)18-6-1-2-9-23-18/h1-9H,10-13H2,(H,24,26).
What are the key properties of [6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone?
[6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone has a molecular weight of 396.40 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,6-difluoroanilino)pyridazin-3-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 109124185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).