2-[6-(1,3-benzothiazol-2-yl)-5-imidazo[1,5-a]pyridin-6-yl-2-(2H-isoindol-1-yl)-3-(1,5-naphthyridin-2-yl)-4-(1,7-naphthyridin-2-yl)-1H-indol-7-yl]-1,3-benzothiazole

C53H30N10S2 — CID 141399443

IUPAC2-[6-(1,3-benzothiazol-2-yl)-5-imidazo[1,5-a]pyridin-6-yl-2-(2H-isoindol-1-yl)-3-(1,5-naphthyridin-2-yl)-4-(1,7-naphthyridin-2-yl)-1H-indol-7-yl]-1,3-benzothiazole
SMILESc1ccc2c(-c3[nH]c4c(-c5nc6ccccc6s5)c(-c5nc6ccccc6s5)c(-c5ccc6cncn6c5)c(-c5ccc6ccncc6n5)c4c3-c3ccc4ncccc4n3)[nH]cc2c1
InChIInChI=1S/C53H30N10S2/c1-2-9-33-30(8-1)24-57-49(33)51-45(39-20-19-34-35(58-39)12-7-22-56-34)46-44(38-18-16-29-21-23-54-26-40(29)59-38)43(31-15-17-32-25-55-28-63(32)27-31)47(52-60-36-10-3-5-13-41(36)64-52)48(50(46)62-51)53-61-37-11-4-6-14-42(37)65-53/h1-28,57,62H
InChIKeyPEVHRGWIYPYPRC-UHFFFAOYSA-N
MW871.03 g/mol
LogP13.40
Rot. Bonds6

About 2-[6-(1,3-benzothiazol-2-yl)-5-imidazo[1,5-a]pyridin-6-yl-2-(2H-isoindol-1-yl)-3-(1,5-naphthyridin-2-yl)-4-(1,7-naphthyridin-2-yl)-1H-indol-7-yl]-1,3-benzothiazole

2-[6-(1,3-benzothiazol-2-yl)-5-imidazo[1,5-a]pyridin-6-yl-2-(2H-isoindol-1-yl)-3-(1,5-naphthyridin-2-yl)-4-(1,7-naphthyridin-2-yl)-1H-indol-7-yl]-1,3-benzothiazole (PubChem CID 141399443) has the molecular formula C53H30N10S2 and a molecular weight of 871.03 g/mol. Its IUPAC name is 2-[6-(1,3-benzothiazol-2-yl)-5-imidazo[1,5-a]pyridin-6-yl-2-(2H-isoindol-1-yl)-3-(1,5-naphthyridin-2-yl)-4-(1,7-naphthyridin-2-yl)-1H-indol-7-yl]-1,3-benzothiazole.

Molecular Properties

Compound Name2-[6-(1,3-benzothiazol-2-yl)-5-imidazo[1,5-a]pyridin-6-yl-2-(2H-isoindol-1-yl)-3-(1,5-naphthyridin-2-yl)-4-(1,7-naphthyridin-2-yl)-1H-indol-7-yl]-1,3-benzothiazole
PubChem CID141399443
Molecular FormulaC53H30N10S2
Molecular Weight871.03 g/mol
Exact Mass870.21
IUPAC Name2-[6-(1,3-benzothiazol-2-yl)-5-imidazo[1,5-a]pyridin-6-yl-2-(2H-isoindol-1-yl)-3-(1,5-naphthyridin-2-yl)-4-(1,7-naphthyridin-2-yl)-1H-indol-7-yl]-1,3-benzothiazole
SMILESc1ccc2c(-c3[nH]c4c(-c5nc6ccccc6s5)c(-c5nc6ccccc6s5)c(-c5ccc6cncn6c5)c(-c5ccc6ccncc6n5)c4c3-c3ccc4ncccc4n3)[nH]cc2c1
InChIInChI=1S/C53H30N10S2/c1-2-9-33-30(8-1)24-57-49(33)51-45(39-20-19-34-35(58-39)12-7-22-56-34)46-44(38-18-16-29-21-23-54-26-40(29)59-38)43(31-15-17-32-25-55-28-63(32)27-31)47(52-60-36-10-3-5-13-41(36)64-52)48(50(46)62-51)53-61-37-11-4-6-14-42(37)65-53/h1-28,57,62H
InChIKeyPEVHRGWIYPYPRC-UHFFFAOYSA-N
XLogP13.40
TPSA126.22 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms65
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500871.03
LogP ≤ 513.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[6-(1,3-benzothiazol-2-yl)-5-imidazo[1,5-a]pyridin-6-yl-2-(2H-isoindol-1-yl)-3-(1,5-naphthyridin-2-yl)-4-(1,7-naphthyridin-2-yl)-1H-indol-7-yl]-1,3-benzothiazole with MolForge

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Related Compounds

4-(1,3-benzothiazol-2-yl)-3-phenyl-N-[[3-[(4-pyridin-2-ylphenyl)methyl]imidazol-4-yl]methyl]aniline
CID 72546290
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
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-naphthalen-2-ylimidazo[1,2-a]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 157653295
2,3-Diphenylindazole;1-fluoro-2-phenylimidazo[1,2-a]quinoline;2-[2-fluoro-4-(trifluoromethyl)phenyl]pyridine;2-phenyl-1,3-benzothiazole;2-phenylimidazo[1,2-a]pyridine;1-phenylindazole;2-phenylindazole;1-phenylisoquinoline;3-phenylisoquinoline;2-phenylpyrazolo[1,5-a]pyridine;2-phenylpyridine;2-phenyl-3-(trifluoromethyl)imidazo[1,2-a]pyridine;2-thiophen-2-ylpyridine
CID 158435881
CID 158910034
CID 158910034
3,7-Bis(2,6-dimethylphenyl)-2,8-dimethyl-11-(trifluoromethyl)-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene;3,7-bis(2,6-dimethylphenyl)-2,8,11-trimethyl-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene;10,18-dimethyl-3,25-diaza-10,18,27-triazoniaheptacyclo[14.10.1.03,11.04,9.012,27.017,25.019,24]heptacosa-4,6,8,10,12(27),13,15,17,19,21,23-undecaene;10,18-dithia-3,25,27-triazoniaheptacyclo[14.10.1.03,11.04,9.012,27.017,25.019,24]heptacosa-3(11),4,6,8,12(27),13,15,17(25),19,21,23-undecaene;3,19,21-triazoniapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3,5,7,9(21),10,12,14,16,18-nonaene;2,8,11-trimethyl-3,7-bis(2,4,6-trimethylphenyl)-3,7,13-triazoniatricyclo[7.3.1.05,13]trideca-1(12),2,7,9(13),10-pentaene
CID 159537615
3-cyclopropyl-1-[2-(2,5-dimethyl-3H-pyrazol-2-ium-4-yl)-3-isocyanoquinolin-5-yl]-N-methyl-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(3,3-difluorocyclobutyl)-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;3-(4,4-difluorocyclohexyl)-N-methyl-1-[7-methyl-3-(2-methyl-1,3-thiazol-5-yl)isoquinolin-8-yl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxamide;methane
CID 160769954
2-[1-(4-Tert-butyl-1-methylnaphthalen-2-yl)-2-methylisoquinolin-2-ium-6-yl]-4-methyl-1,3-thiazole;7-(4-tert-butyl-1-methylnaphthalen-2-yl)-6-methyl-3-(4-methyl-1,3-thiazol-2-yl)thieno[2,3-c]pyridin-6-ium;4-(4-tert-butyl-1-methylnaphthalen-2-yl)-3-methyl-7-(4-methyl-1,3-thiazol-2-yl)thieno[3,2-d]pyrimidin-3-ium;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-methyl-1,3-thiazole;2-[6-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylpyrimidin-1-ium-4-yl]-4-(3,3,3-trifluoro-2,2-dimethylpropyl)-1,3-thiazole;2-[2-(4-tert-butyl-1-methylnaphthalen-2-yl)-1-methylquinolin-1-ium-4-yl]-4-methyl-1,3-thiazole
CID 160970041
2,5-dimethyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;2-ethyl-N-(7-pyridin-4-yl-1,6-naphthyridin-5-yl)-1,3-benzothiazol-6-amine;N-(4-fluoro-2-methyl-1H-inden-5-yl)-7-pyridin-4-yl-1,6-naphthyridin-5-amine;N-(7-phenyl-1,6-naphthyridin-5-yl)-6,7,8,9-tetrahydro-5H-carbazol-3-amine;7-phenyl-N-[2-(trifluoromethyl)-3H-imidazo[4,5-c]pyridin-7-yl]-1,6-naphthyridin-5-amine
CID 164947162
Tetrakis(3-(5-imidazol-1-ylthiophen-2-yl)-1,10-phenanthroline);octahydrate
CID 139091898
5-(1H-imidazol-2-yl)-4-[9-[8-[8-[5-(1H-imidazol-2-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 57958352
8-[6-[6-[5-[2,3,7-Trimethyl-1,9-diphenyl-6-[8-[6-[6-(4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl)-2-pyridinyl]-2-pyridinyl]pyrido[3,2-b]indol-5-yl]dibenzothiophen-4-yl]pyrido[3,2-b]indol-8-yl]-2-pyridinyl]-2-pyridinyl]-4,8,12-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 58099641

Frequently Asked Questions

What is the IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)-5-imidazo[1,5-a]pyridin-6-yl-2-(2H-isoindol-1-yl)-3-(1,5-naphthyridin-2-yl)-4-(1,7-naphthyridin-2-yl)-1H-indol-7-yl]-1,3-benzothiazole?
The IUPAC name of 2-[6-(1,3-benzothiazol-2-yl)-5-imidazo[1,5-a]pyridin-6-yl-2-(2H-isoindol-1-yl)-3-(1,5-naphthyridin-2-yl)-4-(1,7-naphthyridin-2-yl)-1H-indol-7-yl]-1,3-benzothiazole (CID 141399443) is 2-[6-(1,3-benzothiazol-2-yl)-5-imidazo[1,5-a]pyridin-6-yl-2-(2H-isoindol-1-yl)-3-(1,5-naphthyridin-2-yl)-4-(1,7-naphthyridin-2-yl)-1H-indol-7-yl]-1,3-benzothiazole.
What is the SMILES notation for 2-[6-(1,3-benzothiazol-2-yl)-5-imidazo[1,5-a]pyridin-6-yl-2-(2H-isoindol-1-yl)-3-(1,5-naphthyridin-2-yl)-4-(1,7-naphthyridin-2-yl)-1H-indol-7-yl]-1,3-benzothiazole?
The canonical SMILES for 2-[6-(1,3-benzothiazol-2-yl)-5-imidazo[1,5-a]pyridin-6-yl-2-(2H-isoindol-1-yl)-3-(1,5-naphthyridin-2-yl)-4-(1,7-naphthyridin-2-yl)-1H-indol-7-yl]-1,3-benzothiazole is c1ccc2c(-c3[nH]c4c(-c5nc6ccccc6s5)c(-c5nc6ccccc6s5)c(-c5ccc6cncn6c5)c(-c5ccc6ccncc6n5)c4c3-c3ccc4ncccc4n3)[nH]cc2c1.
What is the InChIKey of 2-[6-(1,3-benzothiazol-2-yl)-5-imidazo[1,5-a]pyridin-6-yl-2-(2H-isoindol-1-yl)-3-(1,5-naphthyridin-2-yl)-4-(1,7-naphthyridin-2-yl)-1H-indol-7-yl]-1,3-benzothiazole?
The InChIKey is PEVHRGWIYPYPRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H30N10S2/c1-2-9-33-30(8-1)24-57-49(33)51-45(39-20-19-34-35(58-39)12-7-22-56-34)46-44(38-18-16-29-21-23-54-26-40(29)59-38)43(31-15-17-32-25-55-28-63(32)27-31)47(52-60-36-10-3-5-13-41(36)64-52)48(50(46)62-51)53-61-37-11-4-6-14-42(37)65-53/h1-28,57,62H.
What are the key properties of 2-[6-(1,3-benzothiazol-2-yl)-5-imidazo[1,5-a]pyridin-6-yl-2-(2H-isoindol-1-yl)-3-(1,5-naphthyridin-2-yl)-4-(1,7-naphthyridin-2-yl)-1H-indol-7-yl]-1,3-benzothiazole?
2-[6-(1,3-benzothiazol-2-yl)-5-imidazo[1,5-a]pyridin-6-yl-2-(2H-isoindol-1-yl)-3-(1,5-naphthyridin-2-yl)-4-(1,7-naphthyridin-2-yl)-1H-indol-7-yl]-1,3-benzothiazole has a molecular weight of 871.03 g/mol, XLogP of 13.40, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(1,3-benzothiazol-2-yl)-5-imidazo[1,5-a]pyridin-6-yl-2-(2H-isoindol-1-yl)-3-(1,5-naphthyridin-2-yl)-4-(1,7-naphthyridin-2-yl)-1H-indol-7-yl]-1,3-benzothiazole is sourced from PubChem (CID 141399443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).