5-(1H-imidazol-4-yl)-4-[9-[8-[8-[5-(1H-imidazol-4-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole

C46H26N10S3 — CID 137161088

IUPAC5-(1H-imidazol-4-yl)-4-[9-[8-[8-[5-(1H-imidazol-4-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole
SMILESc1cnc2c(c1)c1cccc(-c3ncsc3-c3c[nH]cn3)c1n2-c1ccc2sc3ccc(-n4c5ncccc5c5cccc(-c6ncsc6-c6c[nH]cn6)c54)cc3c2c1
InChIInChI=1S/C46H26N10S3/c1-5-27-29-9-3-15-49-45(29)55(41(27)31(7-1)39-43(57-23-53-39)35-19-47-21-51-35)25-11-13-37-33(17-25)34-18-26(12-14-38(34)59-37)56-42-28(30-10-4-16-50-46(30)56)6-2-8-32(42)40-44(58-24-54-40)36-20-48-22-52-36/h1-24H,(H,47,51)(H,48,52)
InChIKeyAGYDTZIJWYURMX-UHFFFAOYSA-N
MW814.99 g/mol
LogP12.07
Rot. Bonds6

About 5-(1H-imidazol-4-yl)-4-[9-[8-[8-[5-(1H-imidazol-4-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole

5-(1H-imidazol-4-yl)-4-[9-[8-[8-[5-(1H-imidazol-4-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole (PubChem CID 137161088) has the molecular formula C46H26N10S3 and a molecular weight of 814.99 g/mol. Its IUPAC name is 5-(1H-imidazol-4-yl)-4-[9-[8-[8-[5-(1H-imidazol-4-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole.

Molecular Properties

Compound Name5-(1H-imidazol-4-yl)-4-[9-[8-[8-[5-(1H-imidazol-4-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole
PubChem CID137161088
Molecular FormulaC46H26N10S3
Molecular Weight814.99 g/mol
Exact Mass814.15
IUPAC Name5-(1H-imidazol-4-yl)-4-[9-[8-[8-[5-(1H-imidazol-4-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole
SMILESc1cnc2c(c1)c1cccc(-c3ncsc3-c3c[nH]cn3)c1n2-c1ccc2sc3ccc(-n4c5ncccc5c5cccc(-c6ncsc6-c6c[nH]cn6)c54)cc3c2c1
InChIInChI=1S/C46H26N10S3/c1-5-27-29-9-3-15-49-45(29)55(41(27)31(7-1)39-43(57-23-53-39)35-19-47-21-51-35)25-11-13-37-33(17-25)34-18-26(12-14-38(34)59-37)56-42-28(30-10-4-16-50-46(30)56)6-2-8-32(42)40-44(58-24-54-40)36-20-48-22-52-36/h1-24H,(H,47,51)(H,48,52)
InChIKeyAGYDTZIJWYURMX-UHFFFAOYSA-N
XLogP12.07
TPSA118.78 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds6
Heavy Atoms59
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500814.99
LogP ≤ 512.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 5-(1H-imidazol-4-yl)-4-[9-[8-[8-[5-(1H-imidazol-4-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole with MolForge

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Related Compounds

2-[1-(4-piperidin-1-ylbutyl)indol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole;hydrobromide
CID 168275955
2-[1-(3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole;hydrobromide
CID 168282515
2-[1-(3-piperidin-1-ylpropyl)indol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
CID 155808744
2-[1-(4-piperidin-1-ylbutyl)indol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
CID 155816905
2-[5-fluoro-1-(2-piperidin-1-ylethyl)indol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
CID 155807178
5-[4-[5-[2-(1,3-benzothiazol-6-yl)-4-[(2-ethyl-1H-imidazol-5-yl)methylimino]cyclooct-2-en-1-yl]-2-fluoro-3-methylphenyl]-1,3-benzothiazol-6-yl]-6-(4-fluoro-3-methylphenyl)-N-(1H-imidazol-5-ylmethyl)pyridin-3-amine
CID 123389591
5-(1,3-benzothiazol-6-yl)-N-[(2-ethyl-1H-imidazol-5-yl)methyl]-6-[4-fluoro-3-[6-[2-(4-fluoro-3-methylphenyl)-5-(1H-imidazol-5-ylmethylamino)-3-pyridinyl]-1,3-benzothiazol-4-yl]-5-methylphenyl]pyridin-3-amine
CID 155371071
US10842803, Structure TABLE 1.93
CID 53391236
2,8-Bis(9h-pyrido[2,3-b]indol-9-yl)dibenzo-[b,d]thiophene
CID 132568147
9-[3-[Fluoro-[3-(1-methylbenzimidazol-2-yl)phenyl]methyl]phenyl]-14-thia-9,11-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1,3,5,7,10,12,15,17,19-nonaene
CID 140955919
2-[1-(2-piperidin-1-ylethyl)indol-3-yl]-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
CID 155816314
2-[3-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazol-2-yl]indol-1-yl]ethanamine
CID 155816964

Frequently Asked Questions

What is the IUPAC name of 5-(1H-imidazol-4-yl)-4-[9-[8-[8-[5-(1H-imidazol-4-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole?
The IUPAC name of 5-(1H-imidazol-4-yl)-4-[9-[8-[8-[5-(1H-imidazol-4-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole (CID 137161088) is 5-(1H-imidazol-4-yl)-4-[9-[8-[8-[5-(1H-imidazol-4-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole.
What is the SMILES notation for 5-(1H-imidazol-4-yl)-4-[9-[8-[8-[5-(1H-imidazol-4-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole?
The canonical SMILES for 5-(1H-imidazol-4-yl)-4-[9-[8-[8-[5-(1H-imidazol-4-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole is c1cnc2c(c1)c1cccc(-c3ncsc3-c3c[nH]cn3)c1n2-c1ccc2sc3ccc(-n4c5ncccc5c5cccc(-c6ncsc6-c6c[nH]cn6)c54)cc3c2c1.
What is the InChIKey of 5-(1H-imidazol-4-yl)-4-[9-[8-[8-[5-(1H-imidazol-4-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole?
The InChIKey is AGYDTZIJWYURMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H26N10S3/c1-5-27-29-9-3-15-49-45(29)55(41(27)31(7-1)39-43(57-23-53-39)35-19-47-21-51-35)25-11-13-37-33(17-25)34-18-26(12-14-38(34)59-37)56-42-28(30-10-4-16-50-46(30)56)6-2-8-32(42)40-44(58-24-54-40)36-20-48-22-52-36/h1-24H,(H,47,51)(H,48,52).
What are the key properties of 5-(1H-imidazol-4-yl)-4-[9-[8-[8-[5-(1H-imidazol-4-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole?
5-(1H-imidazol-4-yl)-4-[9-[8-[8-[5-(1H-imidazol-4-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole has a molecular weight of 814.99 g/mol, XLogP of 12.07, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-imidazol-4-yl)-4-[9-[8-[8-[5-(1H-imidazol-4-yl)-1,3-thiazol-4-yl]pyrido[2,3-b]indol-9-yl]dibenzothiophen-2-yl]pyrido[2,3-b]indol-8-yl]-1,3-thiazole is sourced from PubChem (CID 137161088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).