3-[6-(6-amino-7H-purin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

C18H15N7O3 — CID 166173886

IUPAC3-[6-(6-amino-7H-purin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNc1nc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc2nc[nH]c12
InChIInChI=1S/C18H15N7O3/c19-14-13-16(21-7-20-13)24-15(23-14)8-1-2-10-9(5-8)6-25(18(10)28)11-3-4-12(26)22-17(11)27/h1-2,5,7,11H,3-4,6H2,(H,22,26,27)(H3,19,20,21,23,24)
InChIKeyBOPBFPJNSFOLIS-UHFFFAOYSA-N
MW377.36 g/mol
LogP0.36
Rot. Bonds2

About 3-[6-(6-amino-7H-purin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione

3-[6-(6-amino-7H-purin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (PubChem CID 166173886) has the molecular formula C18H15N7O3 and a molecular weight of 377.36 g/mol. Its IUPAC name is 3-[6-(6-amino-7H-purin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[6-(6-amino-7H-purin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
PubChem CID166173886
Molecular FormulaC18H15N7O3
Molecular Weight377.36 g/mol
Exact Mass377.12
IUPAC Name3-[6-(6-amino-7H-purin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
SMILESNc1nc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc2nc[nH]c12
InChIInChI=1S/C18H15N7O3/c19-14-13-16(21-7-20-13)24-15(23-14)8-1-2-10-9(5-8)6-25(18(10)28)11-3-4-12(26)22-17(11)27/h1-2,5,7,11H,3-4,6H2,(H,22,26,27)(H3,19,20,21,23,24)
InChIKeyBOPBFPJNSFOLIS-UHFFFAOYSA-N
XLogP0.36
TPSA146.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[6-(6-amino-7H-purin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-[6-(6-amino-3-methyl-2-pyridinyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170077033
(3S)-3-[6-(1,8-naphthyridin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156867503
3-[3-oxo-6-(1H-pyrazolo[3,4-b]pyridin-5-yl)-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177240699
6-amino-5-cyclopropyl-2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridine-3-carbonitrile
CID 156867488
3-[6-(5-methyl-1H-pyrazol-3-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162723744
3-[3-oxo-7-[[2-(4-phenylphenyl)-7H-purin-6-yl]amino]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 153385159
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
3-[6-[1-(methoxymethyl)-1,2,4-triazol-3-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167941117
3-[6-(6-amino-3-fluoro-4-methyl-2-pyridinyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 170077066
3-[6-[3-amino-7-[(4-hydroxypiperidin-1-yl)methyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 169206680
3-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]pyridazine-4-carbonitrile
CID 166173907
3-[6-[6-(cyclopropylmethylamino)pyrimidin-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167935400

Frequently Asked Questions

What is the IUPAC name of 3-[6-(6-amino-7H-purin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The IUPAC name of 3-[6-(6-amino-7H-purin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione (CID 166173886) is 3-[6-(6-amino-7H-purin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[6-(6-amino-7H-purin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[6-(6-amino-7H-purin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is Nc1nc(-c2ccc3c(c2)CN(C2CCC(=O)NC2=O)C3=O)nc2nc[nH]c12.
What is the InChIKey of 3-[6-(6-amino-7H-purin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
The InChIKey is BOPBFPJNSFOLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N7O3/c19-14-13-16(21-7-20-13)24-15(23-14)8-1-2-10-9(5-8)6-25(18(10)28)11-3-4-12(26)22-17(11)27/h1-2,5,7,11H,3-4,6H2,(H,22,26,27)(H3,19,20,21,23,24).
What are the key properties of 3-[6-(6-amino-7H-purin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione?
3-[6-(6-amino-7H-purin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione has a molecular weight of 377.36 g/mol, XLogP of 0.36, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(6-amino-7H-purin-2-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione is sourced from PubChem (CID 166173886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).