1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

C23H20F2N4O2 — CID 166624246

IUPAC1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCc1ccc(F)c(C(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2nccn2C)c1F
InChIInChI=1S/C23H20F2N4O2/c1-13-7-8-15(24)17(18(13)25)21(30)29-11-9-23(19(29)20-26-10-12-28(20)2)14-5-3-4-6-16(14)27-22(23)31/h3-8,10,12,19H,9,11H2,1-2H3,(H,27,31)
InChIKeyQNENIMPCGNPKBK-UHFFFAOYSA-N
MW422.44 g/mol
LogP3.48
Rot. Bonds2

About 1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one

1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (PubChem CID 166624246) has the molecular formula C23H20F2N4O2 and a molecular weight of 422.44 g/mol. Its IUPAC name is 1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
PubChem CID166624246
Molecular FormulaC23H20F2N4O2
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
SMILESCc1ccc(F)c(C(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2nccn2C)c1F
InChIInChI=1S/C23H20F2N4O2/c1-13-7-8-15(24)17(18(13)25)21(30)29-11-9-23(19(29)20-26-10-12-28(20)2)14-5-3-4-6-16(14)27-22(23)31/h3-8,10,12,19H,9,11H2,1-2H3,(H,27,31)
InChIKeyQNENIMPCGNPKBK-UHFFFAOYSA-N
XLogP3.48
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(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)-2'-(1-methylimidazol-2-yl)-1'-(2-methylpyridine-3-carbonyl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612458
(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'-(1-ethyl-3,5-dimethylpyrazole-4-carbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166616575
1'-[2-(2,3-difluorophenyl)acetyl]-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166615743
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-2-methoxybenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612358
(2'R,3R)-1'-(cyclopentanecarbonyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621211
(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)-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'-(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'-(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 1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one (CID 166624246) is 1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is Cc1ccc(F)c(C(=O)N2CCC3(C(=O)Nc4ccccc43)C2c2nccn2C)c1F.
What is the InChIKey of 1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
The InChIKey is QNENIMPCGNPKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2/c1-13-7-8-15(24)17(18(13)25)21(30)29-11-9-23(19(29)20-26-10-12-28(20)2)14-5-3-4-6-16(14)27-22(23)31/h3-8,10,12,19H,9,11H2,1-2H3,(H,27,31).
What are the key properties of 1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one?
1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one has a molecular weight of 422.44 g/mol, XLogP of 3.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(2,6-difluoro-3-methylbenzoyl)-2'-(1-methylimidazol-2-yl)spiro[1H-indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 166624246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).