(2'R,3R)-1'-(2-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C23H21FN4O3 — CID 166622806

IUPAC(2'R,3R)-1'-(2-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1cccc(F)c1C(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1nccn1C
InChIInChI=1S/C23H21FN4O3/c1-27-13-11-25-20(27)19-23(14-6-3-4-8-16(14)26-22(23)30)10-12-28(19)21(29)18-15(24)7-5-9-17(18)31-2/h3-9,11,13,19H,10,12H2,1-2H3,(H,26,30)/t19-,23+/m0/s1
InChIKeyOONDJCMWPSWITN-WMZHIEFXSA-N
MW420.44 g/mol
LogP3.05
Rot. Bonds3

About (2'R,3R)-1'-(2-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

(2'R,3R)-1'-(2-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166622806) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is (2'R,3R)-1'-(2-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name(2'R,3R)-1'-(2-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166622806
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name(2'R,3R)-1'-(2-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCOc1cccc(F)c1C(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1nccn1C
InChIInChI=1S/C23H21FN4O3/c1-27-13-11-25-20(27)19-23(14-6-3-4-8-16(14)26-22(23)30)10-12-28(19)21(29)18-15(24)7-5-9-17(18)31-2/h3-9,11,13,19H,10,12H2,1-2H3,(H,26,30)/t19-,23+/m0/s1
InChIKeyOONDJCMWPSWITN-WMZHIEFXSA-N
XLogP3.05
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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'-(5-fluoro-2-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612358
(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)-1'-(4-chloro-2-fluorobenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614061
1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615743
(2'R,3R)-2'-(1-methylimidazol-2-yl)-1'-(2-methylpyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612458
2'-(1-methylimidazol-2-yl)-1'-(pyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622198
(2'R,3R)-1'-(5-fluoro-1H-indole-2-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166622043
(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
(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
(2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621211
(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

Frequently Asked Questions

What is the IUPAC name of (2'R,3R)-1'-(2-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of (2'R,3R)-1'-(2-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166622806) is (2'R,3R)-1'-(2-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for (2'R,3R)-1'-(2-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for (2'R,3R)-1'-(2-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is COc1cccc(F)c1C(=O)N1CC[C@]2(C(=O)Nc3ccccc32)[C@@H]1c1nccn1C.
What is the InChIKey of (2'R,3R)-1'-(2-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is OONDJCMWPSWITN-WMZHIEFXSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-27-13-11-25-20(27)19-23(14-6-3-4-8-16(14)26-22(23)30)10-12-28(19)21(29)18-15(24)7-5-9-17(18)31-2/h3-9,11,13,19H,10,12H2,1-2H3,(H,26,30)/t19-,23+/m0/s1.
What are the key properties of (2'R,3R)-1'-(2-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
(2'R,3R)-1'-(2-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 420.44 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2'R,3R)-1'-(2-fluoro-6-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166622806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).