6-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]-7H-purine

C20H19N5O3S — CID 24730944

IUPAC6-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]-7H-purine
SMILESO=S(=O)(c1ccc(-c2ccco2)cc1)C1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C20H19N5O3S/c26-29(27,15-5-3-14(4-6-15)17-2-1-11-28-17)16-7-9-25(10-8-16)20-18-19(22-12-21-18)23-13-24-20/h1-6,11-13,16H,7-10H2,(H,21,22,23,24)
InChIKeyLSXONBQFYNSMSC-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.06
Rot. Bonds4

About 6-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]-7H-purine

6-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]-7H-purine (PubChem CID 24730944) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is 6-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]-7H-purine.

Molecular Properties

Compound Name6-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]-7H-purine
PubChem CID24730944
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC Name6-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]-7H-purine
SMILESO=S(=O)(c1ccc(-c2ccco2)cc1)C1CCN(c2ncnc3nc[nH]c23)CC1
InChIInChI=1S/C20H19N5O3S/c26-29(27,15-5-3-14(4-6-15)17-2-1-11-28-17)16-7-9-25(10-8-16)20-18-19(22-12-21-18)23-13-24-20/h1-6,11-13,16H,7-10H2,(H,21,22,23,24)
InChIKeyLSXONBQFYNSMSC-UHFFFAOYSA-N
XLogP3.06
TPSA104.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]-7H-purine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]-7H-purine?
The IUPAC name of 6-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]-7H-purine (CID 24730944) is 6-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]-7H-purine.
What is the SMILES notation for 6-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]-7H-purine?
The canonical SMILES for 6-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]-7H-purine is O=S(=O)(c1ccc(-c2ccco2)cc1)C1CCN(c2ncnc3nc[nH]c23)CC1.
What is the InChIKey of 6-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]-7H-purine?
The InChIKey is LSXONBQFYNSMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c26-29(27,15-5-3-14(4-6-15)17-2-1-11-28-17)16-7-9-25(10-8-16)20-18-19(22-12-21-18)23-13-24-20/h1-6,11-13,16H,7-10H2,(H,21,22,23,24).
What are the key properties of 6-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]-7H-purine?
6-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]-7H-purine has a molecular weight of 409.47 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[4-(furan-2-yl)phenyl]sulfonylpiperidin-1-yl]-7H-purine is sourced from PubChem (CID 24730944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).