(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-pyridin-3-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one

C20H19N5O3S — CID 166612411

IUPAC(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-pyridin-3-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1ccnc1[C@@H]1N(S(=O)(=O)c2cccnc2)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C20H19N5O3S/c1-24-12-10-22-18(24)17-20(15-6-2-3-7-16(15)23-19(20)26)8-11-25(17)29(27,28)14-5-4-9-21-13-14/h2-7,9-10,12-13,17H,8,11H2,1H3,(H,23,26)/t17-,20+/m0/s1
InChIKeyRFMUZBDMAQPIIS-FXAWDEMLSA-N
MW409.47 g/mol
LogP1.84
Rot. Bonds3

About (2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-pyridin-3-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-pyridin-3-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166612411) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is (2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-pyridin-3-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-pyridin-3-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166612411
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-pyridin-3-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCn1ccnc1[C@@H]1N(S(=O)(=O)c2cccnc2)CC[C@]12C(=O)Nc1ccccc12
InChIInChI=1S/C20H19N5O3S/c1-24-12-10-22-18(24)17-20(15-6-2-3-7-16(15)23-19(20)26)8-11-25(17)29(27,28)14-5-4-9-21-13-14/h2-7,9-10,12-13,17H,8,11H2,1H3,(H,23,26)/t17-,20+/m0/s1
InChIKeyRFMUZBDMAQPIIS-FXAWDEMLSA-N
XLogP1.84
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622198
(2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621211
(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-methylpyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612458
1'-morpholin-4-ylsulfonyl-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166619954
1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166624246
(2'R,3R)-1'-(2-ethylpyrimidine-5-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
CID 171711902
(2'R,3R)-1'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614061
(2'R,3R)-1'-(5-methoxy-2-methylpyridine-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166624050
(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(1-oxo-2,3-dihydroindene-4-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616832
1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615743
(2'R,3R)-1'-(2-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622806
(2'R,3R)-1'-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616575

Frequently Asked Questions

What is the IUPAC name of (2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-pyridin-3-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-pyridin-3-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166612411) is (2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-pyridin-3-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-pyridin-3-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-pyridin-3-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one is Cn1ccnc1[C@@H]1N(S(=O)(=O)c2cccnc2)CC[C@]12C(=O)Nc1ccccc12.
What is the InChIKey of (2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-pyridin-3-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is RFMUZBDMAQPIIS-FXAWDEMLSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-24-12-10-22-18(24)17-20(15-6-2-3-7-16(15)23-19(20)26)8-11-25(17)29(27,28)14-5-4-9-21-13-14/h2-7,9-10,12-13,17H,8,11H2,1H3,(H,23,26)/t17-,20+/m0/s1.
What are the key properties of (2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-pyridin-3-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-pyridin-3-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 409.47 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-pyridin-3-ylsulfonylspiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166612411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).