1'-(cyclopropylmethylsulfonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid

C21H23N3O5S — CID 171322596

IUPAC1'-(cyclopropylmethylsulfonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
SMILESO=C1Nc2ccccc2C12CCN(S(=O)(=O)CC1CC1)C2c1cccnc1.O=CO
InChIInChI=1S/C20H21N3O3S.CH2O2/c24-19-20(16-5-1-2-6-17(16)22-19)9-11-23(27(25,26)13-14-7-8-14)18(20)15-4-3-10-21-12-15;2-1-3/h1-6,10,12,14,18H,7-9,11,13H2,(H,22,24);1H,(H,2,3)
InChIKeyWZDPYNIAJMRULG-UHFFFAOYSA-N
MW429.50 g/mol
LogP2.16
Rot. Bonds4

About 1'-(cyclopropylmethylsulfonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid

1'-(cyclopropylmethylsulfonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid (PubChem CID 171322596) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is 1'-(cyclopropylmethylsulfonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid.

Molecular Properties

Compound Name1'-(cyclopropylmethylsulfonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
PubChem CID171322596
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC Name1'-(cyclopropylmethylsulfonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid
SMILESO=C1Nc2ccccc2C12CCN(S(=O)(=O)CC1CC1)C2c1cccnc1.O=CO
InChIInChI=1S/C20H21N3O3S.CH2O2/c24-19-20(16-5-1-2-6-17(16)22-19)9-11-23(27(25,26)13-14-7-8-14)18(20)15-4-3-10-21-12-15;2-1-3/h1-6,10,12,14,18H,7-9,11,13H2,(H,22,24);1H,(H,2,3)
InChIKeyWZDPYNIAJMRULG-UHFFFAOYSA-N
XLogP2.16
TPSA116.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1'-(cyclopropylmethylsulfonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1'-(2-cyclobutylacetyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166621931
1'-morpholin-4-ylsulfonyl-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166619954
1'-(3-cyclopropylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612449
formic acid;1'-[2-(4-hydroxyphenyl)acetyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171324888
1'-(3-cyclobutylpropanoyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166623782
N-[2-oxo-2-(2-oxo-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-1'-yl)ethyl]methanesulfonamide
CID 166614526
1'-(cyclohexanecarbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166612985
formic acid;1'-[3-(1H-pyrazol-4-yl)propanoyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171330618
formic acid;1'-[2-(methylamino)pyrimidine-5-carbonyl]-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171325696
formic acid;1'-(5-methyl-1H-pyrazole-3-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 171324963
1'-(1-ethylpiperidine-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 166614423
1'-(1-acetylpiperidine-4-carbonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one
CID 165422586

Frequently Asked Questions

What is the IUPAC name of 1'-(cyclopropylmethylsulfonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid?
The IUPAC name of 1'-(cyclopropylmethylsulfonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid (CID 171322596) is 1'-(cyclopropylmethylsulfonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid.
What is the SMILES notation for 1'-(cyclopropylmethylsulfonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid?
The canonical SMILES for 1'-(cyclopropylmethylsulfonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid is O=C1Nc2ccccc2C12CCN(S(=O)(=O)CC1CC1)C2c1cccnc1.O=CO.
What is the InChIKey of 1'-(cyclopropylmethylsulfonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid?
The InChIKey is WZDPYNIAJMRULG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S.CH2O2/c24-19-20(16-5-1-2-6-17(16)22-19)9-11-23(27(25,26)13-14-7-8-14)18(20)15-4-3-10-21-12-15;2-1-3/h1-6,10,12,14,18H,7-9,11,13H2,(H,22,24);1H,(H,2,3).
What are the key properties of 1'-(cyclopropylmethylsulfonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid?
1'-(cyclopropylmethylsulfonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid has a molecular weight of 429.50 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(cyclopropylmethylsulfonyl)-2'-pyridin-3-ylspiro[1H-indole-3,3'-pyrrolidine]-2-one;formic acid is sourced from PubChem (CID 171322596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).