2-(6-aminopurin-7-yl)-1-(1H-indol-3-yl)ethanone

C15H12N6O — CID 42604008

IUPAC2-(6-aminopurin-7-yl)-1-(1H-indol-3-yl)ethanone
SMILESNc1ncnc2ncn(CC(=O)c3c[nH]c4ccccc34)c12
InChIInChI=1S/C15H12N6O/c16-14-13-15(19-7-18-14)20-8-21(13)6-12(22)10-5-17-11-4-2-1-3-9(10)11/h1-5,7-8,17H,6H2,(H2,16,18,19)
InChIKeyXGLISBDQVHVZBR-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.77
Rot. Bonds3

About 2-(6-aminopurin-7-yl)-1-(1H-indol-3-yl)ethanone

2-(6-aminopurin-7-yl)-1-(1H-indol-3-yl)ethanone (PubChem CID 42604008) has the molecular formula C15H12N6O and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(6-aminopurin-7-yl)-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(6-aminopurin-7-yl)-1-(1H-indol-3-yl)ethanone
PubChem CID42604008
Molecular FormulaC15H12N6O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name2-(6-aminopurin-7-yl)-1-(1H-indol-3-yl)ethanone
SMILESNc1ncnc2ncn(CC(=O)c3c[nH]c4ccccc34)c12
InChIInChI=1S/C15H12N6O/c16-14-13-15(19-7-18-14)20-8-21(13)6-12(22)10-5-17-11-4-2-1-3-9(10)11/h1-5,7-8,17H,6H2,(H2,16,18,19)
InChIKeyXGLISBDQVHVZBR-UHFFFAOYSA-N
XLogP1.77
TPSA102.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
9-[2-(1H-indol-3-yl)ethyl]purin-6-amine
CID 91300880
3-amino-1-(1H-indol-3-yl)butan-1-one
CID 116915601
2-bromo-1-(1H-indol-3-yl)ethanone
CID 11310936
2-fluoro-1-(1H-indol-3-yl)ethanone
CID 174847348
1-[2-(1H-indol-3-yl)-2-oxoethyl]piperidine-3-carboxamide
CID 43226754
[2-(1H-indol-3-yl)-2-oxoethyl] 3-methylbut-2-enoate
CID 5137843
2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 63608717
3-[2-(1H-indol-3-yl)-2-oxoethyl]-1,2,3-benzotriazin-4-one
CID 2714437
(5S)-3-[2-(1H-indol-3-yl)-2-oxoethyl]-5-methyl-5-phenylimidazolidine-2,4-dione
CID 2580074
4-[2-(1H-indol-3-yl)-2-oxoethyl]-1-methylpiperazin-2-one
CID 64695940
[2-(1H-indol-3-yl)-2-oxoethyl] butanoate
CID 4687931

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-7-yl)-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-(6-aminopurin-7-yl)-1-(1H-indol-3-yl)ethanone (CID 42604008) is 2-(6-aminopurin-7-yl)-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(6-aminopurin-7-yl)-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(6-aminopurin-7-yl)-1-(1H-indol-3-yl)ethanone is Nc1ncnc2ncn(CC(=O)c3c[nH]c4ccccc34)c12.
What is the InChIKey of 2-(6-aminopurin-7-yl)-1-(1H-indol-3-yl)ethanone?
The InChIKey is XGLISBDQVHVZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O/c16-14-13-15(19-7-18-14)20-8-21(13)6-12(22)10-5-17-11-4-2-1-3-9(10)11/h1-5,7-8,17H,6H2,(H2,16,18,19).
What are the key properties of 2-(6-aminopurin-7-yl)-1-(1H-indol-3-yl)ethanone?
2-(6-aminopurin-7-yl)-1-(1H-indol-3-yl)ethanone has a molecular weight of 292.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-7-yl)-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 42604008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).