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

C22H24N6O — CID 56699361

IUPAC3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1
InChIInChI=1S/C22H24N6O/c29-22(12-9-18-6-2-1-3-7-18)28-16-14-27(15-17-28)21-11-10-20(25-26-21)24-19-8-4-5-13-23-19/h1-8,10-11,13H,9,12,14-17H2,(H,23,24,25)
InChIKeyWZEJIYNQSMOVES-UHFFFAOYSA-N
MW388.48 g/mol
LogP2.90
Rot. Bonds6

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

3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one (PubChem CID 56699361) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
PubChem CID56699361
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one
SMILESO=C(CCc1ccccc1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1
InChIInChI=1S/C22H24N6O/c29-22(12-9-18-6-2-1-3-7-18)28-16-14-27(15-17-28)21-11-10-20(25-26-21)24-19-8-4-5-13-23-19/h1-8,10-11,13H,9,12,14-17H2,(H,23,24,25)
InChIKeyWZEJIYNQSMOVES-UHFFFAOYSA-N
XLogP2.90
TPSA74.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 56699859
2-(4-chlorophenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 42111861
1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]-4-phenylbutan-1-one
CID 70702484
2-(1,3-benzodioxol-5-yl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122347411
1-[4-(6-methylpyridazin-3-yl)piperazin-1-yl]-3-phenylpropan-1-one
CID 56699712
3-(3-chlorophenyl)-1-[4-[6-[(5-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122351435
3-phenyl-1-(4-pyridazin-3-ylpiperazin-1-yl)propan-1-one
CID 121060327
3-phenyl-N-[6-(4-pyrimidin-2-ylpiperazin-1-yl)pyridazin-3-yl]propanamide
CID 113043924
2-(4-methoxy-3-methylphenyl)-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]ethanone
CID 122347434
3-(3-chlorophenyl)-1-[4-[6-[(6-methyl-2-pyridinyl)amino]pyridazin-3-yl]piperazin-1-yl]propan-1-one
CID 122347171
pyridin-3-yl-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]methanone
CID 122347312
1-[4-(6-anilinopyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 7178098

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The IUPAC name of 3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one (CID 56699361) is 3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one is O=C(CCc1ccccc1)N1CCN(c2ccc(Nc3ccccn3)nn2)CC1.
What is the InChIKey of 3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
The InChIKey is WZEJIYNQSMOVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c29-22(12-9-18-6-2-1-3-7-18)28-16-14-27(15-17-28)21-11-10-20(25-26-21)24-19-8-4-5-13-23-19/h1-8,10-11,13H,9,12,14-17H2,(H,23,24,25).
What are the key properties of 3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one?
3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one has a molecular weight of 388.48 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-[4-[6-(pyridin-2-ylamino)pyridazin-3-yl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56699361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).