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

C22H25N5O5S — CID 4574907

IUPAC5-morpholin-4-ylsulfonyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CN2CCN(c3ccccn3)CC2)c2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C22H25N5O5S/c28-21-18-15-17(33(30,31)26-11-13-32-14-12-26)4-5-19(18)27(22(21)29)16-24-7-9-25(10-8-24)20-3-1-2-6-23-20/h1-6,15H,7-14,16H2
InChIKeyRILFZUUJQPLLAH-UHFFFAOYSA-N
MW471.54 g/mol
LogP0.41
Rot. Bonds5

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

5-morpholin-4-ylsulfonyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione (PubChem CID 4574907) has the molecular formula C22H25N5O5S and a molecular weight of 471.54 g/mol. Its IUPAC name is 5-morpholin-4-ylsulfonyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione.

Molecular Properties

Compound Name5-morpholin-4-ylsulfonyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione
PubChem CID4574907
Molecular FormulaC22H25N5O5S
Molecular Weight471.54 g/mol
Exact Mass471.16
IUPAC Name5-morpholin-4-ylsulfonyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione
SMILESO=C1C(=O)N(CN2CCN(c3ccccn3)CC2)c2ccc(S(=O)(=O)N3CCOCC3)cc21
InChIInChI=1S/C22H25N5O5S/c28-21-18-15-17(33(30,31)26-11-13-32-14-12-26)4-5-19(18)27(22(21)29)16-24-7-9-25(10-8-24)20-3-1-2-6-23-20/h1-6,15H,7-14,16H2
InChIKeyRILFZUUJQPLLAH-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 5-morpholin-4-ylsulfonyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione with MolForge

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Related Compounds

5-morpholin-4-ylsulfonyl-1-[(4-phenylpiperazin-1-yl)methyl]indole-2,3-dione
CID 3283445
1-[[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]methyl]indole-2,3-dione
CID 22109144
1-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-morpholin-4-ylsulfonylindole-2,3-dione
CID 4559425
4-(4-pyridin-2-ylpiperazin-1-yl)sulfonylmorpholine
CID 35582506
4-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]morpholine
CID 13345110
1-[(4-methoxyphenyl)methyl]-5-morpholin-4-ylsulfonylindole-2,3-dione
CID 42624536
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-pyridin-2-ylpiperazine
CID 55346773
1-methyl-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-3H-indol-2-one
CID 113098307
2-chloro-5-(4-pyridin-2-ylpiperazin-1-yl)sulfonylbenzoic acid
CID 4836430
7-(4-pyridin-2-ylpiperazin-1-yl)sulfonyl-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 46341334
6-(4-pyridin-2-ylpiperazin-1-yl)sulfonylchromen-2-one
CID 55560079
4-[[6-[4-(quinolin-8-ylmethyl)piperazin-1-yl]-3-pyridinyl]sulfonyl]morpholine
CID 43039496

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-4-ylsulfonyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione?
The IUPAC name of 5-morpholin-4-ylsulfonyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione (CID 4574907) is 5-morpholin-4-ylsulfonyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione.
What is the SMILES notation for 5-morpholin-4-ylsulfonyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione?
The canonical SMILES for 5-morpholin-4-ylsulfonyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione is O=C1C(=O)N(CN2CCN(c3ccccn3)CC2)c2ccc(S(=O)(=O)N3CCOCC3)cc21.
What is the InChIKey of 5-morpholin-4-ylsulfonyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione?
The InChIKey is RILFZUUJQPLLAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O5S/c28-21-18-15-17(33(30,31)26-11-13-32-14-12-26)4-5-19(18)27(22(21)29)16-24-7-9-25(10-8-24)20-3-1-2-6-23-20/h1-6,15H,7-14,16H2.
What are the key properties of 5-morpholin-4-ylsulfonyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione?
5-morpholin-4-ylsulfonyl-1-[(4-pyridin-2-ylpiperazin-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 5-morpholin-4-ylsulfonyl-1-[(4-pyridin-2-ylpiperazin-1-yl)methyl]indole-2,3-dione is sourced from PubChem (CID 4574907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).