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

C21H25N5O3S — CID 122279785

IUPAC1-[5-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)ccc21
InChIInChI=1S/C21H25N5O3S/c1-15(27)26-9-8-17-14-18(4-6-20(17)26)30(28,29)25-12-10-24(11-13-25)21-7-5-19(22-23-21)16-2-3-16/h4-7,14,16H,2-3,8-13H2,1H3
InChIKeyOJYYMBXEVOXAKJ-UHFFFAOYSA-N
MW427.53 g/mol
LogP1.77
Rot. Bonds4

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

1-[5-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (PubChem CID 122279785) has the molecular formula C21H25N5O3S and a molecular weight of 427.53 g/mol. Its IUPAC name is 1-[5-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
PubChem CID122279785
Molecular FormulaC21H25N5O3S
Molecular Weight427.53 g/mol
Exact Mass427.17
IUPAC Name1-[5-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)ccc21
InChIInChI=1S/C21H25N5O3S/c1-15(27)26-9-8-17-14-18(4-6-20(17)26)30(28,29)25-12-10-24(11-13-25)21-7-5-19(22-23-21)16-2-3-16/h4-7,14,16H,2-3,8-13H2,1H3
InChIKeyOJYYMBXEVOXAKJ-UHFFFAOYSA-N
XLogP1.77
TPSA86.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.53
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

1-[5-[4-[6-(pyridin-4-ylamino)pyridazin-3-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 121065235
1-[5-[4-(6-methyl-2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 26539804
3-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine
CID 122279803
1-[6-[4-[6-(2,5-dimethoxyphenyl)pyridazin-3-yl]piperazin-1-yl]sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 121060712
3-cyclopropyl-6-[4-(4-methyl-3,5-dinitrophenyl)sulfonylpiperazin-1-yl]pyridazine
CID 122279758
1-[4-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperazin-1-yl]propan-2-one
CID 110665636
1-[6-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 3241021
3-[4-[3,5-bis(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-6-cyclopropylpyridazine
CID 122279749
1-[5-(4-ethylpiperazin-4-ium-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 3647350
1-[5-[4-[4-(4-methylphenyl)-1,3-thiazol-2-yl]piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 15943388
1-[5-[4-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 26528760
1-[5-(4-benzylpiperidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 7436981

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone (CID 122279785) is 1-[5-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(c4ccc(C5CC5)nn4)CC3)ccc21.
What is the InChIKey of 1-[5-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is OJYYMBXEVOXAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O3S/c1-15(27)26-9-8-17-14-18(4-6-20(17)26)30(28,29)25-12-10-24(11-13-25)21-7-5-19(22-23-21)16-2-3-16/h4-7,14,16H,2-3,8-13H2,1H3.
What are the key properties of 1-[5-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone?
1-[5-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 427.53 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(6-cyclopropylpyridazin-3-yl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 122279785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).