6-(2-benzofuran-1-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-8-(1H-pyrazol-5-yl)-2-thiophen-2-yl-7H-purine

C36H23N7OS2 — CID 141185380

IUPAC6-(2-benzofuran-1-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-8-(1H-pyrazol-5-yl)-2-thiophen-2-yl-7H-purine
SMILESc1csc(C2(c3cc4ccccc4[nH]3)N=c3nc(-c4ccn[nH]4)[nH]c3=C(c3occ4ccccc34)N2c2cc3ccccc3s2)c1
InChIInChI=1S/C36H23N7OS2/c1-4-11-24-23(10-1)20-44-33(24)32-31-35(40-34(39-31)26-15-16-37-42-26)41-36(29-14-7-17-45-29,28-18-21-8-2-5-12-25(21)38-28)43(32)30-19-22-9-3-6-13-27(22)46-30/h1-20,38H,(H,37,42)(H,39,40,41)
InChIKeyAEKHZUQBUWIDLL-UHFFFAOYSA-N
MW633.76 g/mol
LogP7.50
Rot. Bonds5

About 6-(2-benzofuran-1-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-8-(1H-pyrazol-5-yl)-2-thiophen-2-yl-7H-purine

6-(2-benzofuran-1-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-8-(1H-pyrazol-5-yl)-2-thiophen-2-yl-7H-purine (PubChem CID 141185380) has the molecular formula C36H23N7OS2 and a molecular weight of 633.76 g/mol. Its IUPAC name is 6-(2-benzofuran-1-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-8-(1H-pyrazol-5-yl)-2-thiophen-2-yl-7H-purine.

Molecular Properties

Compound Name6-(2-benzofuran-1-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-8-(1H-pyrazol-5-yl)-2-thiophen-2-yl-7H-purine
PubChem CID141185380
Molecular FormulaC36H23N7OS2
Molecular Weight633.76 g/mol
Exact Mass633.14
IUPAC Name6-(2-benzofuran-1-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-8-(1H-pyrazol-5-yl)-2-thiophen-2-yl-7H-purine
SMILESc1csc(C2(c3cc4ccccc4[nH]3)N=c3nc(-c4ccn[nH]4)[nH]c3=C(c3occ4ccccc34)N2c2cc3ccccc3s2)c1
InChIInChI=1S/C36H23N7OS2/c1-4-11-24-23(10-1)20-44-33(24)32-31-35(40-34(39-31)26-15-16-37-42-26)41-36(29-14-7-17-45-29,28-18-21-8-2-5-12-25(21)38-28)43(32)30-19-22-9-3-6-13-27(22)46-30/h1-20,38H,(H,37,42)(H,39,40,41)
InChIKeyAEKHZUQBUWIDLL-UHFFFAOYSA-N
XLogP7.50
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500633.76
LogP ≤ 57.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-(2-benzofuran-1-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-8-(1H-pyrazol-5-yl)-2-thiophen-2-yl-7H-purine with MolForge

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Related Compounds

1H-benzimidazole;1-benzofuran;1-benzothiophene;1H-indazole;1H-indole
CID 67067518
2-[8-(1H-benzimidazol-2-yl)-1-(1-benzothiophen-2-yl)-2-(furan-2-yl)-6-indazol-1-yl-7H-purin-2-yl]-1,3-benzothiazole
CID 140979667
1-[4-(2-benzofuran-1-yl)-5-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-3-(1H-pyrazol-3-yl)phenyl]-2H-isoindole
CID 141019378
2-(2H-chromen-2-yl)-1-(3,4-dihydro-2H-pyran-2-yl)-4-(furan-2-yl)-2-(1H-pyrazol-5-yl)-3-(1H-pyrrol-2-yl)-5-thiophen-2-ylimidazole
CID 141305425
3-(1-benzofuran-2-yl)-3-(2H-indazol-3-yl)-5-(1H-indol-2-yl)-4-(1H-pyrazol-5-yl)-2-thiophen-2-yl-1,2-oxazole
CID 141385587
2-[6-(1-benzofuran-2-yl)-2-(1-benzothiophen-2-yl)-1-(furan-2-yl)-3-(1H-imidazol-2-yl)-2-(1H-pyrazol-5-yl)-5-(1H-pyrrol-2-yl)-3-thiophen-2-yl-4H-pyridin-4-yl]-1H-indole
CID 141420395

Frequently Asked Questions

What is the IUPAC name of 6-(2-benzofuran-1-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-8-(1H-pyrazol-5-yl)-2-thiophen-2-yl-7H-purine?
The IUPAC name of 6-(2-benzofuran-1-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-8-(1H-pyrazol-5-yl)-2-thiophen-2-yl-7H-purine (CID 141185380) is 6-(2-benzofuran-1-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-8-(1H-pyrazol-5-yl)-2-thiophen-2-yl-7H-purine.
What is the SMILES notation for 6-(2-benzofuran-1-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-8-(1H-pyrazol-5-yl)-2-thiophen-2-yl-7H-purine?
The canonical SMILES for 6-(2-benzofuran-1-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-8-(1H-pyrazol-5-yl)-2-thiophen-2-yl-7H-purine is c1csc(C2(c3cc4ccccc4[nH]3)N=c3nc(-c4ccn[nH]4)[nH]c3=C(c3occ4ccccc34)N2c2cc3ccccc3s2)c1.
What is the InChIKey of 6-(2-benzofuran-1-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-8-(1H-pyrazol-5-yl)-2-thiophen-2-yl-7H-purine?
The InChIKey is AEKHZUQBUWIDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N7OS2/c1-4-11-24-23(10-1)20-44-33(24)32-31-35(40-34(39-31)26-15-16-37-42-26)41-36(29-14-7-17-45-29,28-18-21-8-2-5-12-25(21)38-28)43(32)30-19-22-9-3-6-13-27(22)46-30/h1-20,38H,(H,37,42)(H,39,40,41).
What are the key properties of 6-(2-benzofuran-1-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-8-(1H-pyrazol-5-yl)-2-thiophen-2-yl-7H-purine?
6-(2-benzofuran-1-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-8-(1H-pyrazol-5-yl)-2-thiophen-2-yl-7H-purine has a molecular weight of 633.76 g/mol, XLogP of 7.50, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-benzofuran-1-yl)-1-(1-benzothiophen-2-yl)-2-(1H-indol-2-yl)-8-(1H-pyrazol-5-yl)-2-thiophen-2-yl-7H-purine is sourced from PubChem (CID 141185380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).