2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole

C126H115F3N32S — CID 159820862

IUPAC2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
SMILESCc1ccc(C(F)(F)F)c2cc(CCc3nc4c5ccccc5ccc4n3C)nn12.Cc1ncc(C)n2nc(CCC3=Nc4c(ccc5cccnc45)C3)cc12.Cc1ncc(C)n2nc(CCc3nc4c5ccccc5ccc4n3C)cc12.Cc1ncc(C)n2nc(CCc3nc4c5ccccc5ccn4n3)cc12.Cc1ncc(C)n2nc(CCc3nc4c5ncccc5ccc4n3C)cc12.Cc1ncc(C)n2nc(CCc3nc4c5ncccc5sc4n3C)cc12
InChIInChI=1S/C23H19F3N4.C22H21N5.C21H20N6.C21H19N5.C20H18N6.C19H18N6S/c1-14-7-10-18(23(24,25)26)20-13-16(28-30(14)20)9-12-21-27-22-17-6-4-3-5-15(17)8-11-19(22)29(21)2;1-14-13-23-15(2)20-12-17(25-27(14)20)9-11-21-24-22-18-7-5-4-6-16(18)8-10-19(22)26(21)3;1-13-12-23-14(2)18-11-16(25-27(13)18)7-9-19-24-21-17(26(19)3)8-6-15-5-4-10-22-20(15)21;1-13-12-23-14(2)19-11-18(25-26(13)19)8-7-17-10-16-6-5-15-4-3-9-22-20(15)21(16)24-17;1-13-12-21-14(2)18-11-16(23-26(13)18)7-8-19-22-20-17-6-4-3-5-15(17)9-10-25(20)24-19;1-11-10-21-12(2)14-9-13(23-25(11)14)6-7-16-22-18-17-15(5-4-8-20-17)26-19(18)24(16)3/h3-8,10-11,13H,9,12H2,1-2H3;4-8,10,12-13H,9,11H2,1-3H3;4-6,8,10-12H,7,9H2,1-3H3;3-6,9,11-12H,7-8,10H2,1-2H3;3-6,9-12H,7-8H2,1-2H3;4-5,8-10H,6-7H2,1-3H3
InChIKeyNMFFOTPCUQDPRE-UHFFFAOYSA-N
MW2166.59 g/mol
LogP24.33
Rot. Bonds18

About 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole

2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole (PubChem CID 159820862) has the molecular formula C126H115F3N32S and a molecular weight of 2166.59 g/mol. Its IUPAC name is 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole.

Molecular Properties

Compound Name2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
PubChem CID159820862
Molecular FormulaC126H115F3N32S
Molecular Weight2166.59 g/mol
Exact Mass2164.97
IUPAC Name2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
SMILESCc1ccc(C(F)(F)F)c2cc(CCc3nc4c5ccccc5ccc4n3C)nn12.Cc1ncc(C)n2nc(CCC3=Nc4c(ccc5cccnc45)C3)cc12.Cc1ncc(C)n2nc(CCc3nc4c5ccccc5ccc4n3C)cc12.Cc1ncc(C)n2nc(CCc3nc4c5ccccc5ccn4n3)cc12.Cc1ncc(C)n2nc(CCc3nc4c5ncccc5ccc4n3C)cc12.Cc1ncc(C)n2nc(CCc3nc4c5ncccc5sc4n3C)cc12
InChIInChI=1S/C23H19F3N4.C22H21N5.C21H20N6.C21H19N5.C20H18N6.C19H18N6S/c1-14-7-10-18(23(24,25)26)20-13-16(28-30(14)20)9-12-21-27-22-17-6-4-3-5-15(17)8-11-19(22)29(21)2;1-14-13-23-15(2)20-12-17(25-27(14)20)9-11-21-24-22-18-7-5-4-6-16(18)8-10-19(22)26(21)3;1-13-12-23-14(2)18-11-16(25-27(13)18)7-9-19-24-21-17(26(19)3)8-6-15-5-4-10-22-20(15)21;1-13-12-23-14(2)19-11-18(25-26(13)19)8-7-17-10-16-6-5-15-4-3-9-22-20(15)21(16)24-17;1-13-12-21-14(2)18-11-16(23-26(13)18)7-8-19-22-20-17-6-4-3-5-15(17)9-10-25(20)24-19;1-11-10-21-12(2)14-9-13(23-25(11)14)6-7-16-22-18-17-15(5-4-8-20-17)26-19(18)24(16)3/h3-8,10-11,13H,9,12H2,1-2H3;4-8,10,12-13H,9,11H2,1-3H3;4-6,8,10-12H,7,9H2,1-3H3;3-6,9,11-12H,7-8,10H2,1-2H3;3-6,9-12H,7-8H2,1-2H3;4-5,8-10H,6-7H2,1-3H3
InChIKeyNMFFOTPCUQDPRE-UHFFFAOYSA-N
XLogP24.33
TPSA320.75 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds18
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002166.59
LogP ≤ 524.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;methane;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
CID 157113750
CID 157551886
CID 157551886
CID 157582218
CID 157582218
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-[2-(4-chloro-7-methylpyrazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-benzo[g]indole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole
CID 157793600
2-(3-tert-butylpyrazol-1-id-5-yl)-1-methylpyridin-1-ium;tris(2-(2H-dibenzothiophen-2-id-3-yl)quinoline);tris(iridium);1-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridin-1-ium;1-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridin-1-ium
CID 157842553
2-[2-(8-Chloro-5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;3-methyl-2-[2-[5-methyl-8-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole;bis(3-methyl-2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]imidazo[4,5-h]quinoline);2-[2-(8-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;2-[2-([1,2,4]triazolo[1,5-a]pyridin-2-yl)ethyl]-[1,2,4]triazolo[1,5-h][1,7]naphthyridine
CID 157895805
4-fluoro-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-2-piperidin-4-yl-1,3-benzothiazole;6-(2-methyl-3H-benzimidazol-5-yl)-2-piperidin-4-yl-1,3-benzothiazole;N-methyl-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-a]pyridin-6-yl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)-1,3-benzothiazol-2-amine
CID 158248038
8-[1-(4-tert-butylphenyl)benzimidazol-2-yl]-3-fluoro-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;8-[1-(2,6-dimethyl-4-pyridinyl)benzimidazol-2-yl]-2-fluoro-5-methyl-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;6-[1-[2,6-di(propan-2-yl)phenyl]benzimidazol-2-yl]-3-(trifluoromethyl)-7H-[1]benzothiolo[3,2-c]pyridin-7-ide;4-fluoro-8-(1-naphthalen-1-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;5-fluoro-2-propan-2-yl-8-[1-(2,4,6-trimethylphenyl)benzimidazol-2-yl]-7H-[1]benzothiolo[2,3-b]pyridin-7-ide;hexakis(iridium);1,3,5-trifluoro-8-(1-naphthalen-2-ylbenzimidazol-2-yl)-7H-[1]benzothiolo[2,3-c]pyridin-7-ide;tetrakis(trimethyl-(6-phenyl-3-pyridinyl)germane);bis(trimethyl-(6-phenyl-3-pyridinyl)silane)
CID 158417411
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
3-(2-carbazol-9-yl-1,1,1,3,3,3-hexafluoropropan-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;10-(carbazol-9-ylmethyl)-12H-imidazo[1,2-f]phenanthridin-12-ide;10-(5-carbazol-9-ylthiophen-2-yl)-12H-imidazo[1,2-f]phenanthridin-12-ide;10-[(9-ethylcarbazol-3-yl)methyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;10-[6-(9-ethylcarbazol-3-yl)-2-pyridinyl]-12H-imidazo[1,2-f]phenanthridin-12-ide;hexakis(iridium);2-[(9-phenylcarbazol-3-yl)methyl]-12H-imidazo[1,2-f]phenanthridin-12-ide
CID 158509663
tris(3-(3H-dibenzothiophen-3-id-2-yl)pyrido[2,3-b]pyrazine);tris(iridium);1-methyl-2-(5-methylpyrazol-2-id-3-yl)pyridin-1-ium;1-methyl-2-[5-(trifluoromethyl)-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl]pyridin-1-ium;1-methyl-2-[3-(trifluoromethyl)pyrazol-1-id-5-yl]pyridin-1-ium
CID 158864873

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole?
The IUPAC name of 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole (CID 159820862) is 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole.
What is the SMILES notation for 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole?
The canonical SMILES for 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole is Cc1ccc(C(F)(F)F)c2cc(CCc3nc4c5ccccc5ccc4n3C)nn12.Cc1ncc(C)n2nc(CCC3=Nc4c(ccc5cccnc45)C3)cc12.Cc1ncc(C)n2nc(CCc3nc4c5ccccc5ccc4n3C)cc12.Cc1ncc(C)n2nc(CCc3nc4c5ccccc5ccn4n3)cc12.Cc1ncc(C)n2nc(CCc3nc4c5ncccc5ccc4n3C)cc12.Cc1ncc(C)n2nc(CCc3nc4c5ncccc5sc4n3C)cc12.
What is the InChIKey of 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole?
The InChIKey is NMFFOTPCUQDPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4.C22H21N5.C21H20N6.C21H19N5.C20H18N6.C19H18N6S/c1-14-7-10-18(23(24,25)26)20-13-16(28-30(14)20)9-12-21-27-22-17-6-4-3-5-15(17)8-11-19(22)29(21)2;1-14-13-23-15(2)20-12-17(25-27(14)20)9-11-21-24-22-18-7-5-4-6-16(18)8-10-19(22)26(21)3;1-13-12-23-14(2)18-11-16(25-27(13)18)7-9-19-24-21-17(26(19)3)8-6-15-5-4-10-22-20(15)21;1-13-12-23-14(2)19-11-18(25-26(13)19)8-7-17-10-16-6-5-15-4-3-9-22-20(15)21(16)24-17;1-13-12-21-14(2)18-11-16(23-26(13)18)7-8-19-22-20-17-6-4-3-5-15(17)9-10-25(20)24-19;1-11-10-21-12(2)14-9-13(23-25(11)14)6-7-16-22-18-17-15(5-4-8-20-17)26-19(18)24(16)3/h3-8,10-11,13H,9,12H2,1-2H3;4-8,10,12-13H,9,11H2,1-3H3;4-6,8,10-12H,7,9H2,1-3H3;3-6,9,11-12H,7-8,10H2,1-2H3;3-6,9-12H,7-8H2,1-2H3;4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole?
2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole has a molecular weight of 2166.59 g/mol, XLogP of 24.33, 18 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylbenzo[e]benzimidazole;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3-methylimidazo[4,5-h]quinoline;4-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-5-methyl-7-thia-3,5,12-triazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),3,9,11-pentaene;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-3H-pyrrolo[3,2-h]quinoline;2-[2-(4,7-dimethylpyrazolo[1,5-a]pyrazin-2-yl)ethyl]-[1,2,4]triazolo[5,1-a]isoquinoline;3-methyl-2-[2-[7-methyl-4-(trifluoromethyl)pyrazolo[1,5-a]pyridin-2-yl]ethyl]benzo[e]benzimidazole is sourced from PubChem (CID 159820862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).