1-(3-methoxypropyl)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one

C22H25N5O3 — CID 162638934

IUPAC1-(3-methoxypropyl)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOCCCN1C(=O)C2(CCN(C(=O)c3cnn4ccn(C)c34)C2)c2ccccc21
InChIInChI=1S/C22H25N5O3/c1-24-11-12-27-19(24)16(14-23-27)20(28)25-10-8-22(15-25)17-6-3-4-7-18(17)26(21(22)29)9-5-13-30-2/h3-4,6-7,11-12,14H,5,8-10,13,15H2,1-2H3
InChIKeyGAKSMCLDJGBZPX-UHFFFAOYSA-N
MW407.47 g/mol
LogP1.84
Rot. Bonds5

About 1-(3-methoxypropyl)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one

1-(3-methoxypropyl)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 162638934) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-(3-methoxypropyl)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID162638934
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name1-(3-methoxypropyl)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCOCCCN1C(=O)C2(CCN(C(=O)c3cnn4ccn(C)c34)C2)c2ccccc21
InChIInChI=1S/C22H25N5O3/c1-24-11-12-27-19(24)16(14-23-27)20(28)25-10-8-22(15-25)17-6-3-4-7-18(17)26(21(22)29)9-5-13-30-2/h3-4,6-7,11-12,14H,5,8-10,13,15H2,1-2H3
InChIKeyGAKSMCLDJGBZPX-UHFFFAOYSA-N
XLogP1.84
TPSA72.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-1'-[6-(1,2,4-triazol-4-yl)pyridine-2-carbonyl]spiro[indole-3,3'-pyrrolidine]-2-one
CID 157018402
2-[1'-(1,3-dimethylpyrazole-4-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70733083
2-[(3R)-1'-(2-methylbenzoyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 96581096
methyl 2-oxo-1-(2-phenylethyl)spiro[indole-3,3'-pyrrolidine]-1'-carboxylate
CID 134795039
1'-(furan-2-carbonyl)-1-(2-methoxyethyl)spiro[indole-3,4'-piperidine]-2-one
CID 97375649
1-(3-methoxypropyl)-3,3-dimethylindol-2-one
CID 66707162
1-benzyl-8-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 165427848
(4-imidazo[1,2-a]pyridin-2-yl-4-phenylpiperidin-1-yl)-(1-methylimidazo[2,1-e]pyrazol-7-yl)methanone
CID 165421420
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'-(2-methylfuran-3-carbonyl)-2-oxospiro[indole-3,3'-pyrrolidine]-1-yl]acetamide
CID 70782211
(2'S,3R)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)-2'-propylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166618128
1-(3-methylbutyl)-1'-(1-methylimidazole-4-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
CID 157018992

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-(3-methoxypropyl)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one (CID 162638934) is 1-(3-methoxypropyl)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-(3-methoxypropyl)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-(3-methoxypropyl)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one is COCCCN1C(=O)C2(CCN(C(=O)c3cnn4ccn(C)c34)C2)c2ccccc21.
What is the InChIKey of 1-(3-methoxypropyl)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is GAKSMCLDJGBZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-24-11-12-27-19(24)16(14-23-27)20(28)25-10-8-22(15-25)17-6-3-4-7-18(17)26(21(22)29)9-5-13-30-2/h3-4,6-7,11-12,14H,5,8-10,13,15H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one?
1-(3-methoxypropyl)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 407.47 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-1'-(1-methylimidazo[2,1-e]pyrazole-7-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 162638934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).