2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

C25H23FN4O2S — CID 58117696

IUPAC2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC(c4cc5ccccc5o4)CC3)nc(Nc3cccc(F)c3)c21
InChIInChI=1S/C25H23FN4O2S/c26-18-5-3-6-19(15-18)27-24-23-20(10-13-33(23)31)28-25(29-24)30-11-8-16(9-12-30)22-14-17-4-1-2-7-21(17)32-22/h1-7,14-16H,8-13H2,(H,27,28,29)
InChIKeySOSQQTINCGKHFB-UHFFFAOYSA-N
MW462.55 g/mol
LogP5.15
Rot. Bonds4

About 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine

2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (PubChem CID 58117696) has the molecular formula C25H23FN4O2S and a molecular weight of 462.55 g/mol. Its IUPAC name is 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
PubChem CID58117696
Molecular FormulaC25H23FN4O2S
Molecular Weight462.55 g/mol
Exact Mass462.15
IUPAC Name2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine
SMILESO=S1CCc2nc(N3CCC(c4cc5ccccc5o4)CC3)nc(Nc3cccc(F)c3)c21
InChIInChI=1S/C25H23FN4O2S/c26-18-5-3-6-19(15-18)27-24-23-20(10-13-33(23)31)28-25(29-24)30-11-8-16(9-12-30)22-14-17-4-1-2-7-21(17)32-22/h1-7,14-16H,8-13H2,(H,27,28,29)
InChIKeySOSQQTINCGKHFB-UHFFFAOYSA-N
XLogP5.15
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.55
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine 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 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine (CID 58117696) is 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is O=S1CCc2nc(N3CCC(c4cc5ccccc5o4)CC3)nc(Nc3cccc(F)c3)c21.
What is the InChIKey of 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
The InChIKey is SOSQQTINCGKHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN4O2S/c26-18-5-3-6-19(15-18)27-24-23-20(10-13-33(23)31)28-25(29-24)30-11-8-16(9-12-30)22-14-17-4-1-2-7-21(17)32-22/h1-7,14-16H,8-13H2,(H,27,28,29).
What are the key properties of 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine?
2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine has a molecular weight of 462.55 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-benzofuran-2-yl)piperidin-1-yl]-N-(3-fluorophenyl)-5-oxo-6,7-dihydrothieno[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 58117696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).