[2-(difluoromethylsulfonyl)phenyl]-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone

C21H20F2N6O3S — CID 122347414

IUPAC[2-(difluoromethylsulfonyl)phenyl]-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1S(=O)(=O)C(F)F)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1
InChIInChI=1S/C21H20F2N6O3S/c22-21(23)33(31,32)16-6-2-1-5-15(16)20(30)29-13-11-28(12-14-29)19-9-8-18(26-27-19)25-17-7-3-4-10-24-17/h1-10,21H,11-14H2,(H,24,25,26)
InChIKeyYCALMWBVERXPCX-UHFFFAOYSA-N
MW474.49 g/mol
LogP2.57
Rot. Bonds6

About [2-(difluoromethylsulfonyl)phenyl]-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone

[2-(difluoromethylsulfonyl)phenyl]-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (PubChem CID 122347414) has the molecular formula C21H20F2N6O3S and a molecular weight of 474.49 g/mol. Its IUPAC name is [2-(difluoromethylsulfonyl)phenyl]-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[2-(difluoromethylsulfonyl)phenyl]-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
PubChem CID122347414
Molecular FormulaC21H20F2N6O3S
Molecular Weight474.49 g/mol
Exact Mass474.13
IUPAC Name[2-(difluoromethylsulfonyl)phenyl]-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1S(=O)(=O)C(F)F)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1
InChIInChI=1S/C21H20F2N6O3S/c22-21(23)33(31,32)16-6-2-1-5-15(16)20(30)29-13-11-28(12-14-29)19-9-8-18(26-27-19)25-17-7-3-4-10-24-17/h1-10,21H,11-14H2,(H,24,25,26)
InChIKeyYCALMWBVERXPCX-UHFFFAOYSA-N
XLogP2.57
TPSA108.39 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [2-(difluoromethylsulfonyl)phenyl]-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[6-(diethylamino)pyridazin-3-yl]piperazin-1-yl]-[2-(difluoromethylsulfonyl)phenyl]methanone
CID 122335549
pyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347312
(5-methylpyrazin-2-yl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347475
1,3-benzothiazol-2-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347384
[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 56699985
N-pyridin-2-yl-6-[4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]pyridazin-3-amine
CID 50947239
[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]-(2,4,5-trifluoro-3-methoxyphenyl)methanone
CID 122347436
2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 56699859
N-(3,5-difluorophenyl)-4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carboxamide
CID 56700221
3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 56699361
5-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 121064999
(6-ethoxy-3-pyridinyl)-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347473

Frequently Asked Questions

What is the IUPAC name of [2-(difluoromethylsulfonyl)phenyl]-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The IUPAC name of [2-(difluoromethylsulfonyl)phenyl]-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone (CID 122347414) is [2-(difluoromethylsulfonyl)phenyl]-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone.
What is the SMILES notation for [2-(difluoromethylsulfonyl)phenyl]-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The canonical SMILES for [2-(difluoromethylsulfonyl)phenyl]-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is O=C(c1ccccc1S(=O)(=O)C(F)F)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1.
What is the InChIKey of [2-(difluoromethylsulfonyl)phenyl]-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
The InChIKey is YCALMWBVERXPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F2N6O3S/c22-21(23)33(31,32)16-6-2-1-5-15(16)20(30)29-13-11-28(12-14-29)19-9-8-18(26-27-19)25-17-7-3-4-10-24-17/h1-10,21H,11-14H2,(H,24,25,26).
What are the key properties of [2-(difluoromethylsulfonyl)phenyl]-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone?
[2-(difluoromethylsulfonyl)phenyl]-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone has a molecular weight of 474.49 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(difluoromethylsulfonyl)phenyl]-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 122347414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).