2-[2-(1-benzothiophen-2-yl)-7-(furan-2-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]pyrazine

C37H21N7O2S — CID 141087439

IUPAC2-[2-(1-benzothiophen-2-yl)-7-(furan-2-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]pyrazine
SMILESc1ccc(-c2c(-c3ncccn3)c(-c3cccnn3)c3c(-c4cnccn4)c(-c4cc5ccccc5s4)oc3c2-c2ccco2)nc1
InChIInChI=1S/C37H21N7O2S/c1-2-12-27-22(8-1)20-28(47-27)35-31(25-21-38-17-18-40-25)33-30(24-10-5-16-43-44-24)34(37-41-14-7-15-42-37)29(23-9-3-4-13-39-23)32(36(33)46-35)26-11-6-19-45-26/h1-21H
InChIKeyOFSNWLHLKGMISJ-UHFFFAOYSA-N
MW627.69 g/mol
LogP9.01
Rot. Bonds6

About 2-[2-(1-benzothiophen-2-yl)-7-(furan-2-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]pyrazine

2-[2-(1-benzothiophen-2-yl)-7-(furan-2-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]pyrazine (PubChem CID 141087439) has the molecular formula C37H21N7O2S and a molecular weight of 627.69 g/mol. Its IUPAC name is 2-[2-(1-benzothiophen-2-yl)-7-(furan-2-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]pyrazine.

Molecular Properties

Compound Name2-[2-(1-benzothiophen-2-yl)-7-(furan-2-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]pyrazine
PubChem CID141087439
Molecular FormulaC37H21N7O2S
Molecular Weight627.69 g/mol
Exact Mass627.15
IUPAC Name2-[2-(1-benzothiophen-2-yl)-7-(furan-2-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]pyrazine
SMILESc1ccc(-c2c(-c3ncccn3)c(-c3cccnn3)c3c(-c4cnccn4)c(-c4cc5ccccc5s4)oc3c2-c2ccco2)nc1
InChIInChI=1S/C37H21N7O2S/c1-2-12-27-22(8-1)20-28(47-27)35-31(25-21-38-17-18-40-25)33-30(24-10-5-16-43-44-24)34(37-41-14-7-15-42-37)29(23-9-3-4-13-39-23)32(36(33)46-35)26-11-6-19-45-26/h1-21H
InChIKeyOFSNWLHLKGMISJ-UHFFFAOYSA-N
XLogP9.01
TPSA116.51 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500627.69
LogP ≤ 59.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 2-[2-(1-benzothiophen-2-yl)-7-(furan-2-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]pyrazine with MolForge

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Related Compounds

2-Naphthalen-2-yl-4-[8-(3-naphthalen-1-ylpyrazin-2-yl)dibenzofuran-4-yl]-6-(8-phenyldibenzothiophen-4-yl)-1,3,5-triazine
CID 138519323
2-Naphthalen-2-yl-4-[8-(3-naphthalen-1-ylpyrazin-2-yl)dibenzofuran-4-yl]-6-(8-phenyldibenzothiophen-2-yl)-1,3,5-triazine
CID 138519476
2-[5-(Furan-2-yl)-2-pyridazin-3-yl-4-pyridin-2-yl-3-pyrimidin-2-yl-6-thiophen-2-ylphenyl]pyrazine
CID 141006425
2-[5-(furan-2-yl)-5-pyridazin-3-yl-2-pyridin-2-yl-6-pyrimidin-2-yl-4-(1H-pyrrol-2-yl)-3-thiophen-2-ylcyclohexa-1,3-dien-1-yl]pyrazine
CID 141150929
4-[4-(1-Benzothiophen-2-yl)phenyl]-6-(6-phenylnaphthalen-2-yl)-2-[2-[2-[4-[6-(6-phenylnaphthalen-2-yl)-2-(4-pyridin-3-ylphenyl)pyrimidin-4-yl]phenyl]-1-benzothiophen-6-yl]dibenzofuran-3-yl]pyrimidine
CID 146183366
2-Phenanthren-9-yl-4-[9-(6-phenyl-2-pyridinyl)dibenzofuran-4-yl]-6-[7-(2-phenyl-3-pyridinyl)dibenzothiophen-4-yl]-1,3,5-triazine
CID 147357997
4-(6,8-Diphenyldibenzofuran-1-yl)-2-pyridin-2-yl-[1]benzothiolo[3,2-d]pyrimidine
CID 152819070
2-Dibenzothiophen-4-yl-4-phenyl-6-[8-(4-pyridin-2-ylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 153074172
2-[3-[9-(3,5-Diphenyl-1,2,4-triazin-1-ium-1-yl)dibenzofuran-3-yl]phenyl]-4-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 153309354
4-(1-Dibenzothiophen-4-yldibenzofuran-4-yl)-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 155077962
4-(1-Dibenzothiophen-4-yldibenzofuran-4-yl)-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 155077965
4-(1-Dibenzothiophen-4-yldibenzofuran-4-yl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 155077979

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzothiophen-2-yl)-7-(furan-2-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]pyrazine?
The IUPAC name of 2-[2-(1-benzothiophen-2-yl)-7-(furan-2-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]pyrazine (CID 141087439) is 2-[2-(1-benzothiophen-2-yl)-7-(furan-2-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]pyrazine.
What is the SMILES notation for 2-[2-(1-benzothiophen-2-yl)-7-(furan-2-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]pyrazine?
The canonical SMILES for 2-[2-(1-benzothiophen-2-yl)-7-(furan-2-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]pyrazine is c1ccc(-c2c(-c3ncccn3)c(-c3cccnn3)c3c(-c4cnccn4)c(-c4cc5ccccc5s4)oc3c2-c2ccco2)nc1.
What is the InChIKey of 2-[2-(1-benzothiophen-2-yl)-7-(furan-2-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]pyrazine?
The InChIKey is OFSNWLHLKGMISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H21N7O2S/c1-2-12-27-22(8-1)20-28(47-27)35-31(25-21-38-17-18-40-25)33-30(24-10-5-16-43-44-24)34(37-41-14-7-15-42-37)29(23-9-3-4-13-39-23)32(36(33)46-35)26-11-6-19-45-26/h1-21H.
What are the key properties of 2-[2-(1-benzothiophen-2-yl)-7-(furan-2-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]pyrazine?
2-[2-(1-benzothiophen-2-yl)-7-(furan-2-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]pyrazine has a molecular weight of 627.69 g/mol, XLogP of 9.01, 6 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzothiophen-2-yl)-7-(furan-2-yl)-4-pyridazin-3-yl-6-pyridin-2-yl-5-pyrimidin-2-yl-1-benzofuran-3-yl]pyrazine is sourced from PubChem (CID 141087439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).