6-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-[5-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole

C28H25N5OS — CID 71516929

IUPAC6-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-[5-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole
SMILESc1cc2c(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5o4)s3)c[nH]c2cc1C1=NCCCN1
InChIInChI=1S/C28H25N5OS/c1-9-29-27(30-10-1)18-5-6-20-21(16-33-22(20)13-18)25-7-8-26(35-25)24-14-17-3-4-19(15-23(17)34-24)28-31-11-2-12-32-28/h3-8,13-16,33H,1-2,9-12H2,(H,29,30)(H,31,32)
InChIKeyYRLKWTZCBJOJAF-UHFFFAOYSA-N
MW479.61 g/mol
LogP5.79
Rot. Bonds4

About 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-[5-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole

6-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-[5-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole (PubChem CID 71516929) has the molecular formula C28H25N5OS and a molecular weight of 479.61 g/mol. Its IUPAC name is 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-[5-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole.

Molecular Properties

Compound Name6-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-[5-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole
PubChem CID71516929
Molecular FormulaC28H25N5OS
Molecular Weight479.61 g/mol
Exact Mass479.18
IUPAC Name6-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-[5-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole
SMILESc1cc2c(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5o4)s3)c[nH]c2cc1C1=NCCCN1
InChIInChI=1S/C28H25N5OS/c1-9-29-27(30-10-1)18-5-6-20-21(16-33-22(20)13-18)25-7-8-26(35-25)24-14-17-3-4-19(15-23(17)34-24)28-31-11-2-12-32-28/h3-8,13-16,33H,1-2,9-12H2,(H,29,30)(H,31,32)
InChIKeyYRLKWTZCBJOJAF-UHFFFAOYSA-N
XLogP5.79
TPSA77.71 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.61
LogP ≤ 55.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-[5-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole 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-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-[5-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole?
The IUPAC name of 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-[5-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole (CID 71516929) is 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-[5-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole.
What is the SMILES notation for 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-[5-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole?
The canonical SMILES for 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-[5-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole is c1cc2c(-c3ccc(-c4cc5ccc(C6=NCCCN6)cc5o4)s3)c[nH]c2cc1C1=NCCCN1.
What is the InChIKey of 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-[5-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole?
The InChIKey is YRLKWTZCBJOJAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N5OS/c1-9-29-27(30-10-1)18-5-6-20-21(16-33-22(20)13-18)25-7-8-26(35-25)24-14-17-3-4-19(15-23(17)34-24)28-31-11-2-12-32-28/h3-8,13-16,33H,1-2,9-12H2,(H,29,30)(H,31,32).
What are the key properties of 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-[5-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole?
6-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-[5-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole has a molecular weight of 479.61 g/mol, XLogP of 5.79, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,4,5,6-tetrahydropyrimidin-2-yl)-3-[5-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1-benzofuran-2-yl]thiophen-2-yl]-1H-indole is sourced from PubChem (CID 71516929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).