5-methyl-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole

C18H20N4O2S — CID 118292950

IUPAC5-methyl-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole
SMILESCc1ccc2[nH]cc(-c3ccc(S(=O)(=O)N4CCNCC4)nc3)c2c1
InChIInChI=1S/C18H20N4O2S/c1-13-2-4-17-15(10-13)16(12-20-17)14-3-5-18(21-11-14)25(23,24)22-8-6-19-7-9-22/h2-5,10-12,19-20H,6-9H2,1H3
InChIKeyQYITYFSINRUIPS-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.13
Rot. Bonds3

About 5-methyl-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole

5-methyl-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole (PubChem CID 118292950) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 5-methyl-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole.

Molecular Properties

Compound Name5-methyl-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole
PubChem CID118292950
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name5-methyl-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole
SMILESCc1ccc2[nH]cc(-c3ccc(S(=O)(=O)N4CCNCC4)nc3)c2c1
InChIInChI=1S/C18H20N4O2S/c1-13-2-4-17-15(10-13)16(12-20-17)14-3-5-18(21-11-14)25(23,24)22-8-6-19-7-9-22/h2-5,10-12,19-20H,6-9H2,1H3
InChIKeyQYITYFSINRUIPS-UHFFFAOYSA-N
XLogP2.13
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-fluoro-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole
CID 91827423
2-(5-methyl-1H-indol-3-yl)-1H-imidazole-5-carboxylic acid
CID 82387535
1-(4-methylphenyl)sulfonyl-1,4,7-triazonane;1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
CID 172867320
1-(2,5-dimethylphenyl)sulfonyl-1,4,7-triazonane
CID 175127443
1-(2,5-dimethylphenyl)sulfonylpiperazine;hydrochloride
CID 119961871
5-methyl-3-(piperazin-1-ylmethyl)-1H-indole
CID 82277559
3-[1-(2,4-dimethylphenyl)sulfonyl-3,6-dihydro-2H-pyridin-4-yl]-5-fluoro-1H-indole
CID 113086926
3,4-bis(5-methyl-1H-indol-3-yl)pyrrole-2,5-dione
CID 22410468
1-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20735186
5-chloro-4-(5-methyl-1H-indol-3-yl)-N-[(1R,3S)-3-piperazin-1-ylcyclohexyl]pyrimidin-2-amine
CID 129292950
1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 66934082
1-methyl-3-(5-methyl-1H-indol-3-yl)pyrazole-5-carboxylic acid
CID 136985979

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole?
The IUPAC name of 5-methyl-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole (CID 118292950) is 5-methyl-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole.
What is the SMILES notation for 5-methyl-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole?
The canonical SMILES for 5-methyl-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole is Cc1ccc2[nH]cc(-c3ccc(S(=O)(=O)N4CCNCC4)nc3)c2c1.
What is the InChIKey of 5-methyl-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole?
The InChIKey is QYITYFSINRUIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-13-2-4-17-15(10-13)16(12-20-17)14-3-5-18(21-11-14)25(23,24)22-8-6-19-7-9-22/h2-5,10-12,19-20H,6-9H2,1H3.
What are the key properties of 5-methyl-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole?
5-methyl-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole has a molecular weight of 356.45 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(6-piperazin-1-ylsulfonyl-3-pyridinyl)-1H-indole is sourced from PubChem (CID 118292950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).