2-[3-(1H-indazol-6-yl)-6-(1H-indol-3-yl)-5-(1H-indol-5-yl)-4-(1H-indol-6-yl)-1H-indazol-7-yl]-1,3-benzothiazole

C45H28N8S — CID 141151194

IUPAC2-[3-(1H-indazol-6-yl)-6-(1H-indol-3-yl)-5-(1H-indol-5-yl)-4-(1H-indol-6-yl)-1H-indazol-7-yl]-1,3-benzothiazole
SMILESc1ccc2sc(-c3c(-c4c[nH]c5ccccc45)c(-c4ccc5[nH]ccc5c4)c(-c4ccc5cc[nH]c5c4)c4c(-c5ccc6cn[nH]c6c5)n[nH]c34)nc2c1
InChIInChI=1S/C45H28N8S/c1-2-6-33-30(5-1)31(23-48-33)40-38(26-13-14-32-25(19-26)16-18-46-32)39(27-10-9-24-15-17-47-35(24)20-27)41-43(28-11-12-29-22-49-51-36(29)21-28)52-53-44(41)42(40)45-50-34-7-3-4-8-37(34)54-45/h1-23,46-48H,(H,49,51)(H,52,53)
InChIKeyCALSEHNMDSIQDA-UHFFFAOYSA-N
MW712.84 g/mol
LogP11.83
Rot. Bonds5

About 2-[3-(1H-indazol-6-yl)-6-(1H-indol-3-yl)-5-(1H-indol-5-yl)-4-(1H-indol-6-yl)-1H-indazol-7-yl]-1,3-benzothiazole

2-[3-(1H-indazol-6-yl)-6-(1H-indol-3-yl)-5-(1H-indol-5-yl)-4-(1H-indol-6-yl)-1H-indazol-7-yl]-1,3-benzothiazole (PubChem CID 141151194) has the molecular formula C45H28N8S and a molecular weight of 712.84 g/mol. Its IUPAC name is 2-[3-(1H-indazol-6-yl)-6-(1H-indol-3-yl)-5-(1H-indol-5-yl)-4-(1H-indol-6-yl)-1H-indazol-7-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[3-(1H-indazol-6-yl)-6-(1H-indol-3-yl)-5-(1H-indol-5-yl)-4-(1H-indol-6-yl)-1H-indazol-7-yl]-1,3-benzothiazole
PubChem CID141151194
Molecular FormulaC45H28N8S
Molecular Weight712.84 g/mol
Exact Mass712.22
IUPAC Name2-[3-(1H-indazol-6-yl)-6-(1H-indol-3-yl)-5-(1H-indol-5-yl)-4-(1H-indol-6-yl)-1H-indazol-7-yl]-1,3-benzothiazole
SMILESc1ccc2sc(-c3c(-c4c[nH]c5ccccc45)c(-c4ccc5[nH]ccc5c4)c(-c4ccc5cc[nH]c5c4)c4c(-c5ccc6cn[nH]c6c5)n[nH]c34)nc2c1
InChIInChI=1S/C45H28N8S/c1-2-6-33-30(5-1)31(23-48-33)40-38(26-13-14-32-25(19-26)16-18-46-32)39(27-10-9-24-15-17-47-35(24)20-27)41-43(28-11-12-29-22-49-51-36(29)21-28)52-53-44(41)42(40)45-50-34-7-3-4-8-37(34)54-45/h1-23,46-48H,(H,49,51)(H,52,53)
InChIKeyCALSEHNMDSIQDA-UHFFFAOYSA-N
XLogP11.83
TPSA117.62 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500712.84
LogP ≤ 511.83
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze 2-[3-(1H-indazol-6-yl)-6-(1H-indol-3-yl)-5-(1H-indol-5-yl)-4-(1H-indol-6-yl)-1H-indazol-7-yl]-1,3-benzothiazole with MolForge

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Related Compounds

2-{3-[5-(piperidin-1-ylmethyl)-1H-indol-2-yl]-1H-indazol-6-yl}-1,3-thiazole
CID 135559063
N-[[5-[3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137038063
3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-indazole
CID 137115216
3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1-methylpyrazol-4-yl)-1H-indazole
CID 137115567
3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole
CID 137115590
5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-3-[4-(5-prop-1-en-2-ylthiophen-2-yl)-1H-indol-2-yl]-1H-indazole
CID 145248102
4-(1H-indol-3-yl)-2-[4-(10,15,20-triphenyl-21,23-dihydroporphyrin-5-yl)phenyl]-1,3-thiazole
CID 136271219
5-[1-(1,2,3,4-tetrahydroisoquinolin-7-yl)indazol-6-yl]-2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-1,3-thiazole
CID 150805592
2-[6-(1,2-benzothiazol-3-yl)-5-(1,2-thiazol-3-yl)-1H-indazol-4-yl]-1,3-benzothiazole
CID 53671583
6-(1H-indazol-5-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1H-indazol-4-amine
CID 123652166
2-(1H-indazol-6-yl)-5-(1H-indol-2-yl)-1,3-benzothiazole
CID 130439413
2-(1H-indazol-6-yl)-6-(1H-indol-2-yl)-1,3-benzothiazole
CID 130439672

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-indazol-6-yl)-6-(1H-indol-3-yl)-5-(1H-indol-5-yl)-4-(1H-indol-6-yl)-1H-indazol-7-yl]-1,3-benzothiazole?
The IUPAC name of 2-[3-(1H-indazol-6-yl)-6-(1H-indol-3-yl)-5-(1H-indol-5-yl)-4-(1H-indol-6-yl)-1H-indazol-7-yl]-1,3-benzothiazole (CID 141151194) is 2-[3-(1H-indazol-6-yl)-6-(1H-indol-3-yl)-5-(1H-indol-5-yl)-4-(1H-indol-6-yl)-1H-indazol-7-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[3-(1H-indazol-6-yl)-6-(1H-indol-3-yl)-5-(1H-indol-5-yl)-4-(1H-indol-6-yl)-1H-indazol-7-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[3-(1H-indazol-6-yl)-6-(1H-indol-3-yl)-5-(1H-indol-5-yl)-4-(1H-indol-6-yl)-1H-indazol-7-yl]-1,3-benzothiazole is c1ccc2sc(-c3c(-c4c[nH]c5ccccc45)c(-c4ccc5[nH]ccc5c4)c(-c4ccc5cc[nH]c5c4)c4c(-c5ccc6cn[nH]c6c5)n[nH]c34)nc2c1.
What is the InChIKey of 2-[3-(1H-indazol-6-yl)-6-(1H-indol-3-yl)-5-(1H-indol-5-yl)-4-(1H-indol-6-yl)-1H-indazol-7-yl]-1,3-benzothiazole?
The InChIKey is CALSEHNMDSIQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H28N8S/c1-2-6-33-30(5-1)31(23-48-33)40-38(26-13-14-32-25(19-26)16-18-46-32)39(27-10-9-24-15-17-47-35(24)20-27)41-43(28-11-12-29-22-49-51-36(29)21-28)52-53-44(41)42(40)45-50-34-7-3-4-8-37(34)54-45/h1-23,46-48H,(H,49,51)(H,52,53).
What are the key properties of 2-[3-(1H-indazol-6-yl)-6-(1H-indol-3-yl)-5-(1H-indol-5-yl)-4-(1H-indol-6-yl)-1H-indazol-7-yl]-1,3-benzothiazole?
2-[3-(1H-indazol-6-yl)-6-(1H-indol-3-yl)-5-(1H-indol-5-yl)-4-(1H-indol-6-yl)-1H-indazol-7-yl]-1,3-benzothiazole has a molecular weight of 712.84 g/mol, XLogP of 11.83, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-indazol-6-yl)-6-(1H-indol-3-yl)-5-(1H-indol-5-yl)-4-(1H-indol-6-yl)-1H-indazol-7-yl]-1,3-benzothiazole is sourced from PubChem (CID 141151194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).