1-[(3,5-dimethylphenyl)methyl]-1'-(1H-pyrazole-5-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one

C24H24N4O2 — CID 157016297

IUPAC1-[(3,5-dimethylphenyl)methyl]-1'-(1H-pyrazole-5-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCc1cc(C)cc(CN2C(=O)C3(CCN(C(=O)c4ccn[nH]4)C3)c3ccccc32)c1
InChIInChI=1S/C24H24N4O2/c1-16-11-17(2)13-18(12-16)14-28-21-6-4-3-5-19(21)24(23(28)30)8-10-27(15-24)22(29)20-7-9-25-26-20/h3-7,9,11-13H,8,10,14-15H2,1-2H3,(H,25,26)
InChIKeyIUCKFGFIZZZXHI-UHFFFAOYSA-N
MW400.48 g/mol
LogP3.36
Rot. Bonds3

About 1-[(3,5-dimethylphenyl)methyl]-1'-(1H-pyrazole-5-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one

1-[(3,5-dimethylphenyl)methyl]-1'-(1H-pyrazole-5-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one (PubChem CID 157016297) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 1-[(3,5-dimethylphenyl)methyl]-1'-(1H-pyrazole-5-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one.

Molecular Properties

Compound Name1-[(3,5-dimethylphenyl)methyl]-1'-(1H-pyrazole-5-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
PubChem CID157016297
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name1-[(3,5-dimethylphenyl)methyl]-1'-(1H-pyrazole-5-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one
SMILESCc1cc(C)cc(CN2C(=O)C3(CCN(C(=O)c4ccn[nH]4)C3)c3ccccc32)c1
InChIInChI=1S/C24H24N4O2/c1-16-11-17(2)13-18(12-16)14-28-21-6-4-3-5-19(21)24(23(28)30)8-10-27(15-24)22(29)20-7-9-25-26-20/h3-7,9,11-13H,8,10,14-15H2,1-2H3,(H,25,26)
InChIKeyIUCKFGFIZZZXHI-UHFFFAOYSA-N
XLogP3.36
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-1'-(1H-pyrazole-5-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The IUPAC name of 1-[(3,5-dimethylphenyl)methyl]-1'-(1H-pyrazole-5-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one (CID 157016297) is 1-[(3,5-dimethylphenyl)methyl]-1'-(1H-pyrazole-5-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one.
What is the SMILES notation for 1-[(3,5-dimethylphenyl)methyl]-1'-(1H-pyrazole-5-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The canonical SMILES for 1-[(3,5-dimethylphenyl)methyl]-1'-(1H-pyrazole-5-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one is Cc1cc(C)cc(CN2C(=O)C3(CCN(C(=O)c4ccn[nH]4)C3)c3ccccc32)c1.
What is the InChIKey of 1-[(3,5-dimethylphenyl)methyl]-1'-(1H-pyrazole-5-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one?
The InChIKey is IUCKFGFIZZZXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-16-11-17(2)13-18(12-16)14-28-21-6-4-3-5-19(21)24(23(28)30)8-10-27(15-24)22(29)20-7-9-25-26-20/h3-7,9,11-13H,8,10,14-15H2,1-2H3,(H,25,26).
What are the key properties of 1-[(3,5-dimethylphenyl)methyl]-1'-(1H-pyrazole-5-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one?
1-[(3,5-dimethylphenyl)methyl]-1'-(1H-pyrazole-5-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one has a molecular weight of 400.48 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethylphenyl)methyl]-1'-(1H-pyrazole-5-carbonyl)spiro[indole-3,3'-pyrrolidine]-2-one is sourced from PubChem (CID 157016297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).