1'-morpholin-4-ylsulfonyl-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C20H22N4O4S — CID 166619954

IUPAC1'-morpholin-4-ylsulfonyl-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2C12CCN(S(=O)(=O)N1CCOCC1)C2c1cccnc1
InChIInChI=1S/C20H22N4O4S/c25-19-20(16-5-1-2-6-17(16)22-19)7-9-24(18(20)15-4-3-8-21-14-15)29(26,27)23-10-12-28-13-11-23/h1-6,8,14,18H,7,9-13H2,(H,22,25)
InChIKeySNKDAGTYRSBSQB-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.30
Rot. Bonds3

About 1'-morpholin-4-ylsulfonyl-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-morpholin-4-ylsulfonyl-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166619954) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is 1'-morpholin-4-ylsulfonyl-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-morpholin-4-ylsulfonyl-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166619954
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Name1'-morpholin-4-ylsulfonyl-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESO=C1Nc2ccccc2C12CCN(S(=O)(=O)N1CCOCC1)C2c1cccnc1
InChIInChI=1S/C20H22N4O4S/c25-19-20(16-5-1-2-6-17(16)22-19)7-9-24(18(20)15-4-3-8-21-14-15)29(26,27)23-10-12-28-13-11-23/h1-6,8,14,18H,7,9-13H2,(H,22,25)
InChIKeySNKDAGTYRSBSQB-UHFFFAOYSA-N
XLogP1.30
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2'S,3R)-2'-(4-fluorophenyl)-1'-morpholin-4-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622560
1'-[4-(hydroxymethyl)oxane-4-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613461
1'-(cyclopropylmethylsulfonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171322596
N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide
CID 166614526
1'-(cyclohexanecarbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612985
1'-(1-acetylpiperidine-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165422586
1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621931
1'-(3-cyclopropylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612449
(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-pyridin-3-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612411
1'-(4-methylpyridine-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618568
1'-(2,5-dimethyl-1H-imidazole-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166613087
1'-[3-(4-hydroxyphenyl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616556

Frequently Asked Questions

What is the IUPAC name of 1'-morpholin-4-ylsulfonyl-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-morpholin-4-ylsulfonyl-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166619954) is 1'-morpholin-4-ylsulfonyl-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-morpholin-4-ylsulfonyl-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-morpholin-4-ylsulfonyl-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is O=C1Nc2ccccc2C12CCN(S(=O)(=O)N1CCOCC1)C2c1cccnc1.
What is the InChIKey of 1'-morpholin-4-ylsulfonyl-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is SNKDAGTYRSBSQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c25-19-20(16-5-1-2-6-17(16)22-19)7-9-24(18(20)15-4-3-8-21-14-15)29(26,27)23-10-12-28-13-11-23/h1-6,8,14,18H,7,9-13H2,(H,22,25).
What are the key properties of 1'-morpholin-4-ylsulfonyl-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-morpholin-4-ylsulfonyl-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 414.49 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-morpholin-4-ylsulfonyl-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166619954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).