2-[2-[5-[6-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indol-6-yl]-1,4,5,6-tetrahydropyrimidin-5-ol

C28H25N5O3S — CID 89487144

IUPAC2-[2-[5-[6-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indol-6-yl]-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESOC1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NCC(O)CN7)cc6o5)s4)[nH]c3c2)NC1
InChIInChI=1S/C28H25N5O3S/c34-19-11-29-27(30-12-19)17-3-1-15-7-22(33-21(15)8-17)25-5-6-26(37-25)24-9-16-2-4-18(10-23(16)36-24)28-31-13-20(35)14-32-28/h1-10,19-20,33-35H,11-14H2,(H,29,30)(H,31,32)
InChIKeyWUQIXCLDJBCEMF-UHFFFAOYSA-N
MW511.61 g/mol
LogP3.73
Rot. Bonds4

About 2-[2-[5-[6-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indol-6-yl]-1,4,5,6-tetrahydropyrimidin-5-ol

2-[2-[5-[6-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indol-6-yl]-1,4,5,6-tetrahydropyrimidin-5-ol (PubChem CID 89487144) has the molecular formula C28H25N5O3S and a molecular weight of 511.61 g/mol. Its IUPAC name is 2-[2-[5-[6-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indol-6-yl]-1,4,5,6-tetrahydropyrimidin-5-ol.

Molecular Properties

Compound Name2-[2-[5-[6-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indol-6-yl]-1,4,5,6-tetrahydropyrimidin-5-ol
PubChem CID89487144
Molecular FormulaC28H25N5O3S
Molecular Weight511.61 g/mol
Exact Mass511.17
IUPAC Name2-[2-[5-[6-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indol-6-yl]-1,4,5,6-tetrahydropyrimidin-5-ol
SMILESOC1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NCC(O)CN7)cc6o5)s4)[nH]c3c2)NC1
InChIInChI=1S/C28H25N5O3S/c34-19-11-29-27(30-12-19)17-3-1-15-7-22(33-21(15)8-17)25-5-6-26(37-25)24-9-16-2-4-18(10-23(16)36-24)28-31-13-20(35)14-32-28/h1-10,19-20,33-35H,11-14H2,(H,29,30)(H,31,32)
InChIKeyWUQIXCLDJBCEMF-UHFFFAOYSA-N
XLogP3.73
TPSA118.17 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.61
LogP ≤ 53.73
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 2-[2-[5-[6-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indol-6-yl]-1,4,5,6-tetrahydropyrimidin-5-ol 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-[2-[5-[6-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indol-6-yl]-1,4,5,6-tetrahydropyrimidin-5-ol?
The IUPAC name of 2-[2-[5-[6-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indol-6-yl]-1,4,5,6-tetrahydropyrimidin-5-ol (CID 89487144) is 2-[2-[5-[6-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indol-6-yl]-1,4,5,6-tetrahydropyrimidin-5-ol.
What is the SMILES notation for 2-[2-[5-[6-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indol-6-yl]-1,4,5,6-tetrahydropyrimidin-5-ol?
The canonical SMILES for 2-[2-[5-[6-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indol-6-yl]-1,4,5,6-tetrahydropyrimidin-5-ol is OC1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NCC(O)CN7)cc6o5)s4)[nH]c3c2)NC1.
What is the InChIKey of 2-[2-[5-[6-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indol-6-yl]-1,4,5,6-tetrahydropyrimidin-5-ol?
The InChIKey is WUQIXCLDJBCEMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5O3S/c34-19-11-29-27(30-12-19)17-3-1-15-7-22(33-21(15)8-17)25-5-6-26(37-25)24-9-16-2-4-18(10-23(16)36-24)28-31-13-20(35)14-32-28/h1-10,19-20,33-35H,11-14H2,(H,29,30)(H,31,32).
What are the key properties of 2-[2-[5-[6-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indol-6-yl]-1,4,5,6-tetrahydropyrimidin-5-ol?
2-[2-[5-[6-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indol-6-yl]-1,4,5,6-tetrahydropyrimidin-5-ol has a molecular weight of 511.61 g/mol, XLogP of 3.73, 4 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-[6-(5-hydroxy-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indol-6-yl]-1,4,5,6-tetrahydropyrimidin-5-ol is sourced from PubChem (CID 89487144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).