6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine;6-[[[2-[(4-phenoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine

C137H120N36O2 — CID 157401764

IUPAC6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine;6-[[[2-[(4-phenoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
SMILESCc1cc2cc(Cn3cc4c(NCc5ccc6c(N)nccc6c5)nccc4n3)ccc2n1C.Cc1ccc2nc(CNc3nccc4nn(Cc5ccc(Cn6cccn6)cc5)cc34)[nH]c2c1.Nc1nccc2cc(CNc3nccc4cn(Cc5ccc(Cn6cccn6)cc5)nc34)ccc12.Nc1nccc2cc(CNc3nccc4nn(Cc5ccc(Oc6ccccc6)cc5)cc34)ccc12.Nc1nccc2cc(CNc3nccc4nn(Cc5ccc(Oc6cccnc6)cc5)cc34)ccc12
InChIInChI=1S/C29H24N6O.C28H23N7O.C27H24N8.C27H25N7.C26H24N8/c30-28-25-11-8-21(16-22(25)12-14-31-28)17-33-29-26-19-35(34-27(26)13-15-32-29)18-20-6-9-24(10-7-20)36-23-4-2-1-3-5-23;29-27-24-8-5-20(14-21(24)9-12-31-27)15-33-28-25-18-35(34-26(25)10-13-32-28)17-19-3-6-22(7-4-19)36-23-2-1-11-30-16-23;28-26-24-7-6-21(14-22(24)8-11-29-26)15-31-27-25-23(9-12-30-27)18-35(33-25)17-20-4-2-19(3-5-20)16-34-13-1-10-32-34;1-17-11-21-13-19(4-6-25(21)33(17)2)15-34-16-23-24(32-34)8-10-30-27(23)31-14-18-3-5-22-20(12-18)7-9-29-26(22)28;1-18-3-8-23-24(13-18)31-25(30-23)14-28-26-21-17-34(32-22(21)9-11-27-26)16-20-6-4-19(5-7-20)15-33-12-2-10-29-33/h1-16,19H,17-18H2,(H2,30,31)(H,32,33);1-14,16,18H,15,17H2,(H2,29,31)(H,32,33);1-14,18H,15-17H2,(H2,28,29)(H,30,31);3-13,16H,14-15H2,1-2H3,(H2,28,29)(H,30,31);2-13,17H,14-16H2,1H3,(H,27,28)(H,30,31)
InChIKeyBNGFIHNMSLSUOM-UHFFFAOYSA-N
MW2302.72 g/mol
LogP25.43
Rot. Bonds33

About 6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine;6-[[[2-[(4-phenoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine

6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine;6-[[[2-[(4-phenoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine (PubChem CID 157401764) has the molecular formula C137H120N36O2 and a molecular weight of 2302.72 g/mol. Its IUPAC name is 6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine;6-[[[2-[(4-phenoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine.

Molecular Properties

Compound Name6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine;6-[[[2-[(4-phenoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
PubChem CID157401764
Molecular FormulaC137H120N36O2
Molecular Weight2302.72 g/mol
Exact Mass2301.04
IUPAC Name6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine;6-[[[2-[(4-phenoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine
SMILESCc1cc2cc(Cn3cc4c(NCc5ccc6c(N)nccc6c5)nccc4n3)ccc2n1C.Cc1ccc2nc(CNc3nccc4nn(Cc5ccc(Cn6cccn6)cc5)cc34)[nH]c2c1.Nc1nccc2cc(CNc3nccc4cn(Cc5ccc(Cn6cccn6)cc5)nc34)ccc12.Nc1nccc2cc(CNc3nccc4nn(Cc5ccc(Oc6ccccc6)cc5)cc34)ccc12.Nc1nccc2cc(CNc3nccc4nn(Cc5ccc(Oc6cccnc6)cc5)cc34)ccc12
InChIInChI=1S/C29H24N6O.C28H23N7O.C27H24N8.C27H25N7.C26H24N8/c30-28-25-11-8-21(16-22(25)12-14-31-28)17-33-29-26-19-35(34-27(26)13-15-32-29)18-20-6-9-24(10-7-20)36-23-4-2-1-3-5-23;29-27-24-8-5-20(14-21(24)9-12-31-27)15-33-28-25-18-35(34-26(25)10-13-32-28)17-19-3-6-22(7-4-19)36-23-2-1-11-30-16-23;28-26-24-7-6-21(14-22(24)8-11-29-26)15-31-27-25-23(9-12-30-27)18-35(33-25)17-20-4-2-19(3-5-20)16-34-13-1-10-32-34;1-17-11-21-13-19(4-6-25(21)33(17)2)15-34-16-23-24(32-34)8-10-30-27(23)31-14-18-3-5-22-20(12-18)7-9-29-26(22)28;1-18-3-8-23-24(13-18)31-25(30-23)14-28-26-21-17-34(32-22(21)9-11-27-26)16-20-6-4-19(5-7-20)15-33-12-2-10-29-33/h1-16,19H,17-18H2,(H2,30,31)(H,32,33);1-14,16,18H,15,17H2,(H2,29,31)(H,32,33);1-14,18H,15-17H2,(H2,28,29)(H,30,31);3-13,16H,14-15H2,1-2H3,(H2,28,29)(H,30,31);2-13,17H,14-16H2,1H3,(H,27,28)(H,30,31)
InChIKeyBNGFIHNMSLSUOM-UHFFFAOYSA-N
XLogP25.43
TPSA469.94 Ų
H-Bond Donors10
H-Bond Acceptors37
Rotatable Bonds33
Heavy Atoms175
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002302.72
LogP ≤ 525.43
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1037

Analyze 6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine;6-[[[2-[(4-phenoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine with MolForge

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Related Compounds

US20240150366, Example 9
CID 164875490
3-(methoxymethyl)-4-[6-[5-(6-methyl-2-pyridinyl)-2-[[4-[[6-[5-(6-methyl-2-pyridinyl)-2-[[2-(trifluoromethoxy)anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methoxymethyl]anilino]methyl]-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline
CID 132035434
N-[[5-[1-[1-[3-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenoxy]propyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 137087283
5-[1-[1-[2-[3-fluoro-5-[2-(5-pyridin-4-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenoxy]ethyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-yl]pyridin-3-ol
CID 137087338
2-[3-fluoro-5-[2-[6-methyl-5-(5-phenylmethoxy-3-pyridinyl)-1H-indazol-3-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenoxy]-N,N-dimethylethanamine
CID 145034869
N-[[5-[1-[1-[3-[3-fluoro-5-[2-(5-pyrimidin-5-yl-1H-pyrazolo[4,3-b]pyridin-3-yl)-1H-benzimidazol-4-yl]phenyl]propyl]pyrrolidin-3-yl]-3-[4-[3-fluoro-5-(2-pyrrolidin-1-ylethoxy)phenyl]-1H-benzimidazol-2-yl]pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]methyl]-1-phenylmethanamine
CID 145249347
4-[2-(2,3-dihydro-1,4-benzodioxin-3-yl)-3-methylbenzimidazol-5-yl]pyrimidin-2-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-(1H-pyrazol-4-yl)benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-pyridin-4-ylbenzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-methyl-6-pyridin-4-yl-1H-benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-1-methyl-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)benzimidazole;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-pyridin-4-yl-4-(trifluoromethyl)-1H-benzimidazole
CID 158062262
3-ethyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;methane;2-(methoxymethyl)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;3-(methoxymethyl)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;4-(methoxymethyl)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;4-methoxy-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-(trifluoromethoxy)aniline
CID 158484096
N,N'-bis(1H-imidazol-2-ylmethyl)-N'-(1H-pyrazol-2-ium-2-ylmethyl)-N-(pyridin-2-ylmethyl)propane-1,3-diamine;2-[2,6-dimethyl-4-[6-[3-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]heptan-4-yl]-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine;2-ethyl-6-phenylpyridine;2-(fluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyridine;2-phenyl-6-[4-[8-[[2-(3-pyridin-2-ylphenyl)-3-pyridinyl]oxy]octoxy]phenyl]pyridine
CID 159590139
3-ethyl-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;2-(methoxymethyl)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;3-(methoxymethyl)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;4-(methoxymethyl)-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;4-methoxy-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]aniline;N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-2-(trifluoromethoxy)aniline
CID 160266620
1-Tert-butyl-9-(1-propan-2-ylpyridin-1-ium-2-yl)carbazole;1-tert-butyl-2-(1-propan-2-ylpyrrol-2-yl)pyridin-1-ium;2-(5-methyl-2-propan-2-ylpyrazol-3-yl)-1-propan-2-ylpyridin-1-ium;1-propan-2-yl-8-propan-2-yloxy-1,5-naphthyridin-1-ium;1-propan-2-yl-8-propan-2-yloxyquinolin-1-ium;1-propan-2-yl-2-(2-propan-2-ylpyrazol-3-yl)pyridin-1-ium;1-propan-2-yl-2-(1-propan-2-ylpyridin-1-ium-2-yl)benzimidazole;1-propan-2-yl-2-(1,1,1-trifluoro-2-propan-2-yloxypropan-2-yl)pyridin-1-ium
CID 160392574
4-[2-(2,3-dihydro-1-benzofuran-2-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine;2-(2,3-dihydro-1-benzofuran-2-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole;2-(2,3-dihydro-1-benzofuran-2-yl)-6-pyridin-4-yl-1H-benzimidazole;4-[2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3H-benzimidazol-5-yl]pyrimidin-2-amine;2-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-6-(1H-pyrazol-4-yl)-1H-benzimidazole;6-(1H-pyrazol-4-yl)-2-(2,3,4,5-tetrahydro-1-benzoxepin-4-yl)-1H-benzimidazole;4-[2-[6-(trifluoromethoxy)-3,4-dihydro-2H-chromen-3-yl]-3H-benzimidazol-5-yl]pyrimidin-2-amine
CID 160402857

Frequently Asked Questions

What is the IUPAC name of 6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine;6-[[[2-[(4-phenoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The IUPAC name of 6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine;6-[[[2-[(4-phenoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine (CID 157401764) is 6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine;6-[[[2-[(4-phenoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine.
What is the SMILES notation for 6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine;6-[[[2-[(4-phenoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The canonical SMILES for 6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine;6-[[[2-[(4-phenoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine is Cc1cc2cc(Cn3cc4c(NCc5ccc6c(N)nccc6c5)nccc4n3)ccc2n1C.Cc1ccc2nc(CNc3nccc4nn(Cc5ccc(Cn6cccn6)cc5)cc34)[nH]c2c1.Nc1nccc2cc(CNc3nccc4cn(Cc5ccc(Cn6cccn6)cc5)nc34)ccc12.Nc1nccc2cc(CNc3nccc4nn(Cc5ccc(Oc6ccccc6)cc5)cc34)ccc12.Nc1nccc2cc(CNc3nccc4nn(Cc5ccc(Oc6cccnc6)cc5)cc34)ccc12.
What is the InChIKey of 6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine;6-[[[2-[(4-phenoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
The InChIKey is BNGFIHNMSLSUOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N6O.C28H23N7O.C27H24N8.C27H25N7.C26H24N8/c30-28-25-11-8-21(16-22(25)12-14-31-28)17-33-29-26-19-35(34-27(26)13-15-32-29)18-20-6-9-24(10-7-20)36-23-4-2-1-3-5-23;29-27-24-8-5-20(14-21(24)9-12-31-27)15-33-28-25-18-35(34-26(25)10-13-32-28)17-19-3-6-22(7-4-19)36-23-2-1-11-30-16-23;28-26-24-7-6-21(14-22(24)8-11-29-26)15-31-27-25-23(9-12-30-27)18-35(33-25)17-20-4-2-19(3-5-20)16-34-13-1-10-32-34;1-17-11-21-13-19(4-6-25(21)33(17)2)15-34-16-23-24(32-34)8-10-30-27(23)31-14-18-3-5-22-20(12-18)7-9-29-26(22)28;1-18-3-8-23-24(13-18)31-25(30-23)14-28-26-21-17-34(32-22(21)9-11-27-26)16-20-6-4-19(5-7-20)15-33-12-2-10-29-33/h1-16,19H,17-18H2,(H2,30,31)(H,32,33);1-14,16,18H,15,17H2,(H2,29,31)(H,32,33);1-14,18H,15-17H2,(H2,28,29)(H,30,31);3-13,16H,14-15H2,1-2H3,(H2,28,29)(H,30,31);2-13,17H,14-16H2,1H3,(H,27,28)(H,30,31).
What are the key properties of 6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine;6-[[[2-[(4-phenoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine?
6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine;6-[[[2-[(4-phenoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine has a molecular weight of 2302.72 g/mol, XLogP of 25.43, 33 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[[2-[(1,2-dimethylindol-5-yl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;N-[(6-methyl-1H-benzimidazol-2-yl)methyl]-2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[4,3-c]pyridin-4-amine;6-[[[2-[(4-phenoxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]pyrazolo[3,4-c]pyridin-7-yl]amino]methyl]isoquinolin-1-amine;6-[[[2-[(4-pyridin-3-yloxyphenyl)methyl]pyrazolo[4,3-c]pyridin-4-yl]amino]methyl]isoquinolin-1-amine is sourced from PubChem (CID 157401764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).