4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-7-pyrazin-2-yl-6-pyridazin-3-yl-1-pyrimidin-2-ylindazole

C43H25N9OS — CID 141214726

IUPAC4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-7-pyrazin-2-yl-6-pyridazin-3-yl-1-pyrimidin-2-ylindazole
SMILESc1cnc(-n2nc(-c3cc4ccccc4s3)c3c(-c4cc5ccccc5o4)c(-c4cc5ccccc5[nH]4)c(-c4cccnn4)c(-c4cnccn4)c32)nc1
InChIInChI=1S/C43H25N9OS/c1-4-12-28-25(9-1)21-30(49-28)37-36(29-13-7-18-48-50-29)38(31-24-44-19-20-45-31)42-40(39(37)33-22-26-10-2-5-14-32(26)53-33)41(51-52(42)43-46-16-8-17-47-43)35-23-27-11-3-6-15-34(27)54-35/h1-24,49H
InChIKeyWPAJJXFDIFJXES-UHFFFAOYSA-N
MW715.80 g/mol
LogP10.17
Rot. Bonds6

About 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-7-pyrazin-2-yl-6-pyridazin-3-yl-1-pyrimidin-2-ylindazole

4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-7-pyrazin-2-yl-6-pyridazin-3-yl-1-pyrimidin-2-ylindazole (PubChem CID 141214726) has the molecular formula C43H25N9OS and a molecular weight of 715.80 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-7-pyrazin-2-yl-6-pyridazin-3-yl-1-pyrimidin-2-ylindazole.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-7-pyrazin-2-yl-6-pyridazin-3-yl-1-pyrimidin-2-ylindazole
PubChem CID141214726
Molecular FormulaC43H25N9OS
Molecular Weight715.80 g/mol
Exact Mass715.19
IUPAC Name4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-7-pyrazin-2-yl-6-pyridazin-3-yl-1-pyrimidin-2-ylindazole
SMILESc1cnc(-n2nc(-c3cc4ccccc4s3)c3c(-c4cc5ccccc5o4)c(-c4cc5ccccc5[nH]4)c(-c4cccnn4)c(-c4cnccn4)c32)nc1
InChIInChI=1S/C43H25N9OS/c1-4-12-28-25(9-1)21-30(49-28)37-36(29-13-7-18-48-50-29)38(31-24-44-19-20-45-31)42-40(39(37)33-22-26-10-2-5-14-32(26)53-33)41(51-52(42)43-46-16-8-17-47-43)35-23-27-11-3-6-15-34(27)54-35/h1-24,49H
InChIKeyWPAJJXFDIFJXES-UHFFFAOYSA-N
XLogP10.17
TPSA124.09 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.80
LogP ≤ 510.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

3-[3-[3-[8-Dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-(9-pyrimidin-5-ylcarbazol-3-yl)phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole
CID 58059158
1-benzofuran;1-benzothiophene;1H-indazole;7H-purine;quinoline
CID 68641188
11-[4-(3-Dibenzothiophen-4-ylphenyl)pyrimidin-2-yl]-[1]benzofuro[3,2-b]carbazole
CID 117827055
9-[8-[4,6-Di(propan-2-yl)-8-[3-(3-pyrazin-2-ylphenyl)-6-pyridin-2-ylcarbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazole
CID 118055425
1-[8-[4,6-di(propan-2-yl)-8-[3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)carbazol-9-yl]dibenzothiophen-2-yl]-4,6-di(propan-2-yl)dibenzofuran-2-yl]-3-pyridin-2-yl-6-(3-pyrimidin-2-ylphenyl)-9H-carbazole
CID 118245946
3-[3-[3-[8-Dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-[9-(1,2-dihydropyrimidin-5-yl)carbazol-3-yl]phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole
CID 118700137
4-(1H-benzimidazol-2-yl)-7-(1-benzofuran-3-yl)-6-(1-benzothiophen-3-yl)-3,5-bis(1H-indazol-3-yl)-8-(1H-indol-2-yl)quinoline
CID 123167562
11-[3-[4-[2-[3-([1]Benzothiolo[2,3-a]carbazol-12-yl)-5-pyrimidin-2-ylphenyl]pyrimidin-4-yl]pyrimidin-2-yl]-5-pyrimidin-2-ylphenyl]-[1]benzofuro[3,2-b]carbazole
CID 123312094
22-(4-Pyridin-3-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-oxa-22-azahexacyclo[11.11.0.02,10.04,9.015,23.016,21]tetracosa-1(24),2(10),4,6,8,11,13,15(23),16,18,20-undecaene
CID 126621649
22-(4-Pyridin-3-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-9-oxa-22-azahexacyclo[11.11.0.02,10.03,8.015,23.016,21]tetracosa-1(24),2(10),3,5,7,11,13,15(23),16,18,20-undecaene
CID 126621807
20-Pyridin-2-yl-16-(4-pyridin-3-yl-[1]benzothiolo[3,2-d]pyrimidin-2-yl)-3-oxa-16-azahexacyclo[11.11.0.02,10.04,9.015,23.017,22]tetracosa-1(24),2(10),4,6,8,11,13,15(23),17(22),18,20-undecaene
CID 126718077
3-Dibenzofuran-4-yl-9-[4-phenyl-6-[3-[6-[9-[3-[4-(4-phenylphenyl)pyrimidin-2-yl]phenyl]carbazol-3-yl]dibenzothiophen-2-yl]phenyl]-1,3,5-triazin-2-yl]carbazole
CID 129103428

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-7-pyrazin-2-yl-6-pyridazin-3-yl-1-pyrimidin-2-ylindazole?
The IUPAC name of 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-7-pyrazin-2-yl-6-pyridazin-3-yl-1-pyrimidin-2-ylindazole (CID 141214726) is 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-7-pyrazin-2-yl-6-pyridazin-3-yl-1-pyrimidin-2-ylindazole.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-7-pyrazin-2-yl-6-pyridazin-3-yl-1-pyrimidin-2-ylindazole?
The canonical SMILES for 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-7-pyrazin-2-yl-6-pyridazin-3-yl-1-pyrimidin-2-ylindazole is c1cnc(-n2nc(-c3cc4ccccc4s3)c3c(-c4cc5ccccc5o4)c(-c4cc5ccccc5[nH]4)c(-c4cccnn4)c(-c4cnccn4)c32)nc1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-7-pyrazin-2-yl-6-pyridazin-3-yl-1-pyrimidin-2-ylindazole?
The InChIKey is WPAJJXFDIFJXES-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H25N9OS/c1-4-12-28-25(9-1)21-30(49-28)37-36(29-13-7-18-48-50-29)38(31-24-44-19-20-45-31)42-40(39(37)33-22-26-10-2-5-14-32(26)53-33)41(51-52(42)43-46-16-8-17-47-43)35-23-27-11-3-6-15-34(27)54-35/h1-24,49H.
What are the key properties of 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-7-pyrazin-2-yl-6-pyridazin-3-yl-1-pyrimidin-2-ylindazole?
4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-7-pyrazin-2-yl-6-pyridazin-3-yl-1-pyrimidin-2-ylindazole has a molecular weight of 715.80 g/mol, XLogP of 10.17, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-3-(1-benzothiophen-2-yl)-5-(1H-indol-2-yl)-7-pyrazin-2-yl-6-pyridazin-3-yl-1-pyrimidin-2-ylindazole is sourced from PubChem (CID 141214726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).