1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

C23H25N7O3S — CID 121065235

IUPAC1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(Nc5ccncc5)nn4)CC3)ccc21
InChIInChI=1S/C23H25N7O3S/c1-17(31)30-11-8-18-16-20(2-3-21(18)30)34(32,33)29-14-12-28(13-15-29)23-5-4-22(26-27-23)25-19-6-9-24-10-7-19/h2-7,9-10,16H,8,11-15H2,1H3,(H,24,25,26)
InChIKeyGHNOXBXKDXAFNR-UHFFFAOYSA-N
MW479.57 g/mol
LogP2.04
Rot. Bonds5

About 1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone

1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 121065235) has the molecular formula C23H25N7O3S and a molecular weight of 479.57 g/mol. Its IUPAC name is 1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID121065235
Molecular FormulaC23H25N7O3S
Molecular Weight479.57 g/mol
Exact Mass479.17
IUPAC Name1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(Nc5ccncc5)nn4)CC3)ccc21
InChIInChI=1S/C23H25N7O3S/c1-17(31)30-11-8-18-16-20(2-3-21(18)30)34(32,33)29-14-12-28(13-15-29)23-5-4-22(26-27-23)25-19-6-9-24-10-7-19/h2-7,9-10,16H,8,11-15H2,1H3,(H,24,25,26)
InChIKeyGHNOXBXKDXAFNR-UHFFFAOYSA-N
XLogP2.04
TPSA111.63 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.57
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone with MolForge

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Related Compounds

1-[5-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 122279785
6-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 50947847
6-[4-(4-nitrophenyl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 121065264
1-[6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 3241021
1-[5-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 26539804
1-[6-[4-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 121060712
N-[4-[4-[6-(pyridin-3-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonylphenyl]acetamide
CID 121065024
1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]propan-2-one
CID 110665636
6-(4-cyclopropylsulfonylpiperazin-1-yl)-N-pyridin-4-ylpyridazin-3-amine
CID 122348021
1-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 3647350
6-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 42112005
6-[4-(5-ethylthiophen-2-yl)sulfonylpiperazin-1-yl]-N-pyridin-4-ylpyridazin-3-amine
CID 122348014

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 121065235) is 1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(Nc5ccncc5)nn4)CC3)ccc21.
What is the InChIKey of 1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is GHNOXBXKDXAFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O3S/c1-17(31)30-11-8-18-16-20(2-3-21(18)30)34(32,33)29-14-12-28(13-15-29)23-5-4-22(26-27-23)25-19-6-9-24-10-7-19/h2-7,9-10,16H,8,11-15H2,1H3,(H,24,25,26).
What are the key properties of 1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 479.57 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 121065235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).