6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole

C28H23F2N5OS — CID 89486930

IUPAC6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole
SMILESFC1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NCC(F)CN7)cc6o5)s4)[nH]c3c2)NC1
InChIInChI=1S/C28H23F2N5OS/c29-19-11-31-27(32-12-19)17-3-1-15-7-22(35-21(15)8-17)25-5-6-26(37-25)24-9-16-2-4-18(10-23(16)36-24)28-33-13-20(30)14-34-28/h1-10,19-20,35H,11-14H2,(H,31,32)(H,33,34)
InChIKeyLXNPUYHFEXOYGF-UHFFFAOYSA-N
MW515.59 g/mol
LogP5.69
Rot. Bonds4

About 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole

6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole (PubChem CID 89486930) has the molecular formula C28H23F2N5OS and a molecular weight of 515.59 g/mol. Its IUPAC name is 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole.

Molecular Properties

Compound Name6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole
PubChem CID89486930
Molecular FormulaC28H23F2N5OS
Molecular Weight515.59 g/mol
Exact Mass515.16
IUPAC Name6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole
SMILESFC1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NCC(F)CN7)cc6o5)s4)[nH]c3c2)NC1
InChIInChI=1S/C28H23F2N5OS/c29-19-11-31-27(32-12-19)17-3-1-15-7-22(35-21(15)8-17)25-5-6-26(37-25)24-9-16-2-4-18(10-23(16)36-24)28-33-13-20(30)14-34-28/h1-10,19-20,35H,11-14H2,(H,31,32)(H,33,34)
InChIKeyLXNPUYHFEXOYGF-UHFFFAOYSA-N
XLogP5.69
TPSA77.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.59
LogP ≤ 55.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole?
The IUPAC name of 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole (CID 89486930) is 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole.
What is the SMILES notation for 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole?
The canonical SMILES for 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole is FC1CN=C(c2ccc3cc(-c4ccc(-c5cc6ccc(C7=NCC(F)CN7)cc6o5)s4)[nH]c3c2)NC1.
What is the InChIKey of 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole?
The InChIKey is LXNPUYHFEXOYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23F2N5OS/c29-19-11-31-27(32-12-19)17-3-1-15-7-22(35-21(15)8-17)25-5-6-26(37-25)24-9-16-2-4-18(10-23(16)36-24)28-33-13-20(30)14-34-28/h1-10,19-20,35H,11-14H2,(H,31,32)(H,33,34).
What are the key properties of 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole?
6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole has a molecular weight of 515.59 g/mol, XLogP of 5.69, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-2-[5-[6-(5-fluoro-1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole is sourced from PubChem (CID 89486930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).