1-(2-methoxyethyl)-1'-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]spiro[indole-3,3'-pyrrolidine]-2-one

C22H22N6O3 — CID 157018402

IUPAC1-(2-methoxyethyl)-1'-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOCCN1C(=O)C2(CCN(C(=O)c3cccc(-n4cnnc4)n3)C2)c2ccccc21
InChIInChI=1S/C22H22N6O3/c1-31-12-11-28-18-7-3-2-5-16(18)22(21(28)30)9-10-26(13-22)20(29)17-6-4-8-19(25-17)27-14-23-24-15-27/h2-8,14-15H,9-13H2,1H3
InChIKeyLBIVIFUDIHIZOK-UHFFFAOYSA-N
MW418.46 g/mol
LogP1.44
Rot. Bonds5

About 1-(2-methoxyethyl)-1'-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]spiro[indole-3,3'-pyrrolidine]-2-one

1-(2-methoxyethyl)-1'-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 157018402) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-1'-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-(2-methoxyethyl)-1'-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID157018402
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name1-(2-methoxyethyl)-1'-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOCCN1C(=O)C2(CCN(C(=O)c3cccc(-n4cnnc4)n3)C2)c2ccccc21
InChIInChI=1S/C22H22N6O3/c1-31-12-11-28-18-7-3-2-5-16(18)22(21(28)30)9-10-26(13-22)20(29)17-6-4-8-19(25-17)27-14-23-24-15-27/h2-8,14-15H,9-13H2,1H3
InChIKeyLBIVIFUDIHIZOK-UHFFFAOYSA-N
XLogP1.44
TPSA93.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 157018992
1'-(furan-2-carbonyl)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375649
methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 134795039
1-(3-methoxypropyl)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 162638934
1'-(4-chlorobenzoyl)-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 134788843
2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70733083
1-[(3-methoxyphenyl)methyl]-1'-(1H-pyrrole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 157015900
2-[(3S)-2-oxo-1'-(5-propyl-1,3,4-oxadiazole-2-carbonyl)spiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 95557588
2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 96581096
1'-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-1-(2-hydroxyethyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 157010939
2-[1'-(3,4-dimethylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70723838
2-[1'-(4-methyl-1,3-thiazole-5-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70717778

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-1'-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-(2-methoxyethyl)-1'-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]spiro[indole-3,3'-pyrrolidine]-2-one (CID 157018402) is 1-(2-methoxyethyl)-1'-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-(2-methoxyethyl)-1'-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-(2-methoxyethyl)-1'-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]spiro[indole-3,3'-pyrrolidine]-2-one is COCCN1C(=O)C2(CCN(C(=O)c3cccc(-n4cnnc4)n3)C2)c2ccccc21.
What is the InChIKey of 1-(2-methoxyethyl)-1'-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is LBIVIFUDIHIZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c1-31-12-11-28-18-7-3-2-5-16(18)22(21(28)30)9-10-26(13-22)20(29)17-6-4-8-19(25-17)27-14-23-24-15-27/h2-8,14-15H,9-13H2,1H3.
What are the key properties of 1-(2-methoxyethyl)-1'-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]spiro[indole-3,3'-pyrrolidine]-2-one?
1-(2-methoxyethyl)-1'-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 418.46 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-1'-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 157018402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).