1-[5-[3-[6-(4-methylpiperazin-1-yl)indazol-1-yl]sulfonylprop-1-enyl]-2,3-dihydroindol-1-yl]ethanone

C25H29N5O3S — CID 174588005

IUPAC1-[5-[3-[6-(4-methylpiperazin-1-yl)indazol-1-yl]sulfonylprop-1-enyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C=CCS(=O)(=O)n3ncc4ccc(N5CCN(C)CC5)cc43)ccc21
InChIInChI=1S/C25H29N5O3S/c1-19(31)29-10-9-21-16-20(5-8-24(21)29)4-3-15-34(32,33)30-25-17-23(7-6-22(25)18-26-30)28-13-11-27(2)12-14-28/h3-8,16-18H,9-15H2,1-2H3
InChIKeyDPEAUZDRCBQJTJ-UHFFFAOYSA-N
MW479.61 g/mol
LogP2.59
Rot. Bonds5

About 1-[5-[3-[6-(4-methylpiperazin-1-yl)indazol-1-yl]sulfonylprop-1-enyl]-2,3-dihydroindol-1-yl]ethanone

1-[5-[3-[6-(4-methylpiperazin-1-yl)indazol-1-yl]sulfonylprop-1-enyl]-2,3-dihydroindol-1-yl]ethanone (PubChem CID 174588005) has the molecular formula C25H29N5O3S and a molecular weight of 479.61 g/mol. Its IUPAC name is 1-[5-[3-[6-(4-methylpiperazin-1-yl)indazol-1-yl]sulfonylprop-1-enyl]-2,3-dihydroindol-1-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-[6-(4-methylpiperazin-1-yl)indazol-1-yl]sulfonylprop-1-enyl]-2,3-dihydroindol-1-yl]ethanone
PubChem CID174588005
Molecular FormulaC25H29N5O3S
Molecular Weight479.61 g/mol
Exact Mass479.20
IUPAC Name1-[5-[3-[6-(4-methylpiperazin-1-yl)indazol-1-yl]sulfonylprop-1-enyl]-2,3-dihydroindol-1-yl]ethanone
SMILESCC(=O)N1CCc2cc(C=CCS(=O)(=O)n3ncc4ccc(N5CCN(C)CC5)cc43)ccc21
InChIInChI=1S/C25H29N5O3S/c1-19(31)29-10-9-21-16-20(5-8-24(21)29)4-3-15-34(32,33)30-25-17-23(7-6-22(25)18-26-30)28-13-11-27(2)12-14-28/h3-8,16-18H,9-15H2,1-2H3
InChIKeyDPEAUZDRCBQJTJ-UHFFFAOYSA-N
XLogP2.59
TPSA78.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.61
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(1-acetyl-2,3-dihydroindol-5-yl)piperazin-1-yl]ethanone
CID 82537881
3-[1-[3-(1-acetyl-2,3-dihydroindol-5-yl)prop-2-enylsulfonyl]-5-chloroindol-2-yl]propanoic acid
CID 174560960
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)but-3-enyl]acetamide
CID 170489483
1-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)ethanone
CID 71684022
1-[5-[4-(4-phenyl-1,3-thiazol-2-yl)piperazin-1-yl]-2,3-dihydroindol-1-yl]ethanone
CID 141146332
1-[5-(2-hydroxyethylsulfonyl)-2,3-dihydroindol-1-yl]ethanone
CID 117036710
ethyl 5-pyrrolidin-1-yl-2,3-dihydroindole-1-carboxylate
CID 110316008
1-[5-(4-phenylpiperazine-1-carbonyl)-2,3-dihydroindol-1-yl]ethanone
CID 29264486
1-(1-acetyl-2,3-dihydroindol-5-yl)-2-(4-phenylpiperazin-1-yl)ethanone
CID 20866210
1-[5-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]-2,3-dihydroindol-1-yl]ethanone
CID 141179429
1-(1-acetyl-2,3-dihydroindol-5-yl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propan-1-one
CID 166519389
1-acetyl-N-[2-(4-phenylpiperazin-1-yl)ethyl]-2,3-dihydroindole-5-carboxamide
CID 46412762

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-[6-(4-methylpiperazin-1-yl)indazol-1-yl]sulfonylprop-1-enyl]-2,3-dihydroindol-1-yl]ethanone?
The IUPAC name of 1-[5-[3-[6-(4-methylpiperazin-1-yl)indazol-1-yl]sulfonylprop-1-enyl]-2,3-dihydroindol-1-yl]ethanone (CID 174588005) is 1-[5-[3-[6-(4-methylpiperazin-1-yl)indazol-1-yl]sulfonylprop-1-enyl]-2,3-dihydroindol-1-yl]ethanone.
What is the SMILES notation for 1-[5-[3-[6-(4-methylpiperazin-1-yl)indazol-1-yl]sulfonylprop-1-enyl]-2,3-dihydroindol-1-yl]ethanone?
The canonical SMILES for 1-[5-[3-[6-(4-methylpiperazin-1-yl)indazol-1-yl]sulfonylprop-1-enyl]-2,3-dihydroindol-1-yl]ethanone is CC(=O)N1CCc2cc(C=CCS(=O)(=O)n3ncc4ccc(N5CCN(C)CC5)cc43)ccc21.
What is the InChIKey of 1-[5-[3-[6-(4-methylpiperazin-1-yl)indazol-1-yl]sulfonylprop-1-enyl]-2,3-dihydroindol-1-yl]ethanone?
The InChIKey is DPEAUZDRCBQJTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O3S/c1-19(31)29-10-9-21-16-20(5-8-24(21)29)4-3-15-34(32,33)30-25-17-23(7-6-22(25)18-26-30)28-13-11-27(2)12-14-28/h3-8,16-18H,9-15H2,1-2H3.
What are the key properties of 1-[5-[3-[6-(4-methylpiperazin-1-yl)indazol-1-yl]sulfonylprop-1-enyl]-2,3-dihydroindol-1-yl]ethanone?
1-[5-[3-[6-(4-methylpiperazin-1-yl)indazol-1-yl]sulfonylprop-1-enyl]-2,3-dihydroindol-1-yl]ethanone has a molecular weight of 479.61 g/mol, XLogP of 2.59, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-[6-(4-methylpiperazin-1-yl)indazol-1-yl]sulfonylprop-1-enyl]-2,3-dihydroindol-1-yl]ethanone is sourced from PubChem (CID 174588005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).