7H-purine;thieno[2,3-b]pyridine

C12H9N5S — CID 144552506

IUPAC7H-purine;thieno[2,3-b]pyridine
SMILESc1cnc2sccc2c1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C7H5NS.C5H4N4/c1-2-6-3-5-9-7(6)8-4-1;1-4-5(8-2-6-1)9-3-7-4/h1-5H;1-3H,(H,6,7,8,9)
InChIKeyLIMJPXDSDPWABT-UHFFFAOYSA-N
MW255.31 g/mol
LogP2.65
Rot. Bonds

About 7H-purine;thieno[2,3-b]pyridine

7H-purine;thieno[2,3-b]pyridine (PubChem CID 144552506) has the molecular formula C12H9N5S and a molecular weight of 255.31 g/mol. Its IUPAC name is 7H-purine;thieno[2,3-b]pyridine.

Molecular Properties

Compound Name7H-purine;thieno[2,3-b]pyridine
PubChem CID144552506
Molecular FormulaC12H9N5S
Molecular Weight255.31 g/mol
Exact Mass255.06
IUPAC Name7H-purine;thieno[2,3-b]pyridine
SMILESc1cnc2sccc2c1.c1ncc2[nH]cnc2n1
InChIInChI=1S/C7H5NS.C5H4N4/c1-2-6-3-5-9-7(6)8-4-1;1-4-5(8-2-6-1)9-3-7-4/h1-5H;1-3H,(H,6,7,8,9)
InChIKeyLIMJPXDSDPWABT-UHFFFAOYSA-N
XLogP2.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7H-purine;thieno[2,3-b]pyridine 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 7H-purine;thieno[2,3-b]pyridine?
The IUPAC name of 7H-purine;thieno[2,3-b]pyridine (CID 144552506) is 7H-purine;thieno[2,3-b]pyridine.
What is the SMILES notation for 7H-purine;thieno[2,3-b]pyridine?
The canonical SMILES for 7H-purine;thieno[2,3-b]pyridine is c1cnc2sccc2c1.c1ncc2[nH]cnc2n1.
What is the InChIKey of 7H-purine;thieno[2,3-b]pyridine?
The InChIKey is LIMJPXDSDPWABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5NS.C5H4N4/c1-2-6-3-5-9-7(6)8-4-1;1-4-5(8-2-6-1)9-3-7-4/h1-5H;1-3H,(H,6,7,8,9).
What are the key properties of 7H-purine;thieno[2,3-b]pyridine?
7H-purine;thieno[2,3-b]pyridine has a molecular weight of 255.31 g/mol, XLogP of 2.65, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-purine;thieno[2,3-b]pyridine is sourced from PubChem (CID 144552506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).