1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione

C22H25N5O5S — CID 22109144

IUPAC1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c2ccccc21
InChIInChI=1S/C22H25N5O5S/c28-21-18-3-1-2-4-19(18)27(22(21)29)16-24-7-9-25(10-8-24)20-6-5-17(15-23-20)33(30,31)26-11-13-32-14-12-26/h1-6,15H,7-14,16H2
InChIKeyHEGUJZITJSKQMH-UHFFFAOYSA-N
MW471.54 g/mol
LogP0.41
Rot. Bonds5

About 1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione

1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione (PubChem CID 22109144) has the molecular formula C22H25N5O5S and a molecular weight of 471.54 g/mol. Its IUPAC name is 1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione
PubChem CID22109144
Molecular FormulaC22H25N5O5S
Molecular Weight471.54 g/mol
Exact Mass471.16
IUPAC Name1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c2ccccc21
InChIInChI=1S/C22H25N5O5S/c28-21-18-3-1-2-4-19(18)27(22(21)29)16-24-7-9-25(10-8-24)20-6-5-17(15-23-20)33(30,31)26-11-13-32-14-12-26/h1-6,15H,7-14,16H2
InChIKeyHEGUJZITJSKQMH-UHFFFAOYSA-N
XLogP0.41
TPSA103.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 50.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione with MolForge

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Related Compounds

5-morpholin-4-ylsulfonyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione
CID 4574907
5-morpholin-4-ylsulfonyl-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione
CID 3283445
2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]phenol
CID 9282198
4-[[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 9186566
1-[[4-[5-(trifluoromethyl)-2-pyridinyl]-1,4-diazepan-1-yl]methyl]indole-2,3-dione
CID 27390427
4-[[6-(4-propyl-1,4-diazepan-1-yl)-3-pyridinyl]sulfonyl]morpholine
CID 133322499
4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 43039496
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-morpholin-4-ylsulfonylindole-2,3-dione
CID 4559425
2-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]quinazolin-4-amine
CID 43039484
4-[[6-[4-[(4-pyrazol-1-ylphenyl)methyl]piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 43039470
2-methylsulfanyl-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 24633618
(1S)-1-(4-fluorophenyl)-2-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]ethanol
CID 32605808

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione?
The IUPAC name of 1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione (CID 22109144) is 1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione.
What is the SMILES notation for 1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione?
The canonical SMILES for 1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione is O=C1C(=O)N(CN2CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)c2ccccc21.
What is the InChIKey of 1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione?
The InChIKey is HEGUJZITJSKQMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5S/c28-21-18-3-1-2-4-19(18)27(22(21)29)16-24-7-9-25(10-8-24)20-6-5-17(15-23-20)33(30,31)26-11-13-32-14-12-26/h1-6,15H,7-14,16H2.
What are the key properties of 1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione?
1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione has a molecular weight of 471.54 g/mol, XLogP of 0.41, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione is sourced from PubChem (CID 22109144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).