7-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]-1,3-dimethylpurine-2,6-dione

C25H23N5O3 — CID 17429807

IUPAC7-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]-1,3-dimethylpurine-2,6-dione
SMILESCCc1cccc2c(C(=O)C(c3ccccc3)n3cnc4c3c(=O)n(C)c(=O)n4C)c[nH]c12
InChIInChI=1S/C25H23N5O3/c1-4-15-11-8-12-17-18(13-26-19(15)17)22(31)20(16-9-6-5-7-10-16)30-14-27-23-21(30)24(32)29(3)25(33)28(23)2/h5-14,20,26H,4H2,1-3H3
InChIKeyGZKFFMLPUJTUSA-UHFFFAOYSA-N
MW441.49 g/mol
LogP2.95
Rot. Bonds5

About 7-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]-1,3-dimethylpurine-2,6-dione

7-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]-1,3-dimethylpurine-2,6-dione (PubChem CID 17429807) has the molecular formula C25H23N5O3 and a molecular weight of 441.49 g/mol. Its IUPAC name is 7-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]-1,3-dimethylpurine-2,6-dione.

Molecular Properties

Compound Name7-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]-1,3-dimethylpurine-2,6-dione
PubChem CID17429807
Molecular FormulaC25H23N5O3
Molecular Weight441.49 g/mol
Exact Mass441.18
IUPAC Name7-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]-1,3-dimethylpurine-2,6-dione
SMILESCCc1cccc2c(C(=O)C(c3ccccc3)n3cnc4c3c(=O)n(C)c(=O)n4C)c[nH]c12
InChIInChI=1S/C25H23N5O3/c1-4-15-11-8-12-17-18(13-26-19(15)17)22(31)20(16-9-6-5-7-10-16)30-14-27-23-21(30)24(32)29(3)25(33)28(23)2/h5-14,20,26H,4H2,1-3H3
InChIKeyGZKFFMLPUJTUSA-UHFFFAOYSA-N
XLogP2.95
TPSA94.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 7-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]-1,3-dimethylpurine-2,6-dione with MolForge

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Related Compounds

7-[2-(1H-indol-3-yl)-2-oxo-1-phenylethyl]-1,3-dimethylpurine-2,6-dione
CID 60535854
ethyl (2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-2-phenylacetate
CID 40661292
(2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 40792378
(2S)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-(3-methoxyphenyl)-2-phenylacetamide
CID 40656553
7-[(1R)-1,2-bis(4-methylphenyl)-2-oxoethyl]-1,3-dimethylpurine-2,6-dione
CID 40713064
3-[(1R)-2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]sulfanyl-4-propyl-1H-1,2,4-triazol-5-one
CID 25384946
2-(butylamino)-1-(7-ethyl-1H-indol-3-yl)-2-phenylethanone
CID 4849520
1-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl benzoate
CID 23455185
3-[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl]quinazolin-4-one
CID 7628285
1,3-dimethyl-7-(4-phenylbutan-2-yl)purine-2,6-dione
CID 60529422
1,3-dimethyl-7-(2-phenylbutanoyl)purine-2,6-dione
CID 131844359
(2R)-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)propanoic acid
CID 118471919

Frequently Asked Questions

What is the IUPAC name of 7-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]-1,3-dimethylpurine-2,6-dione?
The IUPAC name of 7-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]-1,3-dimethylpurine-2,6-dione (CID 17429807) is 7-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]-1,3-dimethylpurine-2,6-dione.
What is the SMILES notation for 7-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]-1,3-dimethylpurine-2,6-dione?
The canonical SMILES for 7-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]-1,3-dimethylpurine-2,6-dione is CCc1cccc2c(C(=O)C(c3ccccc3)n3cnc4c3c(=O)n(C)c(=O)n4C)c[nH]c12.
What is the InChIKey of 7-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]-1,3-dimethylpurine-2,6-dione?
The InChIKey is GZKFFMLPUJTUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O3/c1-4-15-11-8-12-17-18(13-26-19(15)17)22(31)20(16-9-6-5-7-10-16)30-14-27-23-21(30)24(32)29(3)25(33)28(23)2/h5-14,20,26H,4H2,1-3H3.
What are the key properties of 7-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]-1,3-dimethylpurine-2,6-dione?
7-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]-1,3-dimethylpurine-2,6-dione has a molecular weight of 441.49 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(7-ethyl-1H-indol-3-yl)-2-oxo-1-phenylethyl]-1,3-dimethylpurine-2,6-dione is sourced from PubChem (CID 17429807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).