6-bromo-1-chloroisoquinoline;6-bromo-1-[(3R)-3-fluoropyrrolidin-1-yl]isoquinoline;(3R)-3-fluoropyrrolidine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]isoquinolin-6-amine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine

C83H78Br2ClF4N23O2 — CID 158212226

IUPAC6-bromo-1-chloroisoquinoline;6-bromo-1-[(3R)-3-fluoropyrrolidin-1-yl]isoquinoline;(3R)-3-fluoropyrrolidine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]isoquinolin-6-amine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine
SMILESCOc1ccc(Cn2nc(N)c3nccnc32)cc1.COc1ccc(Cn2nc(Nc3ccc4c(N5CC[C@@H](F)C5)nccc4c3)c3nccnc32)cc1.Clc1nccc2cc(Br)ccc12.F[C@@H]1CCN(c2nccc3cc(Br)ccc23)C1.F[C@@H]1CCN(c2nccc3cc(Nc4[nH]nc5nccnc45)ccc23)C1.F[C@@H]1CCNC1
InChIInChI=1S/C26H24FN7O.C18H16FN7.C13H12BrFN2.C13H13N5O.C9H5BrClN.C4H8FN/c1-35-21-5-2-17(3-6-21)15-34-26-23(28-11-12-30-26)24(32-34)31-20-4-7-22-18(14-20)8-10-29-25(22)33-13-9-19(27)16-33;19-12-4-8-26(10-12)18-14-2-1-13(9-11(14)3-5-22-18)23-17-15-16(24-25-17)21-7-6-20-15;14-10-1-2-12-9(7-10)3-5-16-13(12)17-6-4-11(15)8-17;1-19-10-4-2-9(3-5-10)8-18-13-11(12(14)17-18)15-6-7-16-13;10-7-1-2-8-6(5-7)3-4-12-9(8)11;5-4-1-2-6-3-4/h2-8,10-12,14,19H,9,13,15-16H2,1H3,(H,31,32);1-3,5-7,9,12H,4,8,10H2,(H2,21,23,24,25);1-3,5,7,11H,4,6,8H2;2-7H,8H2,1H3,(H2,14,17);1-5H;4,6H,1-3H2/t19-;12-;11-;;;4-/m111..1/s1
InChIKeyGCFHVCYAUZTPMU-ADZRNILQSA-N
MW1700.95 g/mol
LogP16.90
Rot. Bonds13

About 6-bromo-1-chloroisoquinoline;6-bromo-1-[(3R)-3-fluoropyrrolidin-1-yl]isoquinoline;(3R)-3-fluoropyrrolidine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]isoquinolin-6-amine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine

6-bromo-1-chloroisoquinoline;6-bromo-1-[(3R)-3-fluoropyrrolidin-1-yl]isoquinoline;(3R)-3-fluoropyrrolidine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]isoquinolin-6-amine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine (PubChem CID 158212226) has the molecular formula C83H78Br2ClF4N23O2 and a molecular weight of 1700.95 g/mol. Its IUPAC name is 6-bromo-1-chloroisoquinoline;6-bromo-1-[(3R)-3-fluoropyrrolidin-1-yl]isoquinoline;(3R)-3-fluoropyrrolidine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]isoquinolin-6-amine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine.

Molecular Properties

Compound Name6-bromo-1-chloroisoquinoline;6-bromo-1-[(3R)-3-fluoropyrrolidin-1-yl]isoquinoline;(3R)-3-fluoropyrrolidine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]isoquinolin-6-amine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine
PubChem CID158212226
Molecular FormulaC83H78Br2ClF4N23O2
Molecular Weight1700.95 g/mol
Exact Mass1697.47
IUPAC Name6-bromo-1-chloroisoquinoline;6-bromo-1-[(3R)-3-fluoropyrrolidin-1-yl]isoquinoline;(3R)-3-fluoropyrrolidine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]isoquinolin-6-amine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine
SMILESCOc1ccc(Cn2nc(N)c3nccnc32)cc1.COc1ccc(Cn2nc(Nc3ccc4c(N5CC[C@@H](F)C5)nccc4c3)c3nccnc32)cc1.Clc1nccc2cc(Br)ccc12.F[C@@H]1CCN(c2nccc3cc(Br)ccc23)C1.F[C@@H]1CCN(c2nccc3cc(Nc4[nH]nc5nccnc45)ccc23)C1.F[C@@H]1CCNC1
InChIInChI=1S/C26H24FN7O.C18H16FN7.C13H12BrFN2.C13H13N5O.C9H5BrClN.C4H8FN/c1-35-21-5-2-17(3-6-21)15-34-26-23(28-11-12-30-26)24(32-34)31-20-4-7-22-18(14-20)8-10-29-25(22)33-13-9-19(27)16-33;19-12-4-8-26(10-12)18-14-2-1-13(9-11(14)3-5-22-18)23-17-15-16(24-25-17)21-7-6-20-15;14-10-1-2-12-9(7-10)3-5-16-13(12)17-6-4-11(15)8-17;1-19-10-4-2-9(3-5-10)8-18-13-11(12(14)17-18)15-6-7-16-13;10-7-1-2-8-6(5-7)3-4-12-9(8)11;5-4-1-2-6-3-4/h2-8,10-12,14,19H,9,13,15-16H2,1H3,(H,31,32);1-3,5-7,9,12H,4,8,10H2,(H2,21,23,24,25);1-3,5,7,11H,4,6,8H2;2-7H,8H2,1H3,(H2,14,17);1-5H;4,6H,1-3H2/t19-;12-;11-;;;4-/m111..1/s1
InChIKeyGCFHVCYAUZTPMU-ADZRNILQSA-N
XLogP16.90
TPSA283.51 Ų
H-Bond Donors5
H-Bond Acceptors24
Rotatable Bonds13
Heavy Atoms115
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001700.95
LogP ≤ 516.90
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-bromo-1-chloroisoquinoline;6-bromo-1-[(3R)-3-fluoropyrrolidin-1-yl]isoquinoline;(3R)-3-fluoropyrrolidine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]isoquinolin-6-amine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine with MolForge

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Related Compounds

dipotassium;6-bromoisoquinoline;6-bromo-2-oxidoisoquinolin-2-ium;6-bromo-1-(trifluoromethyl)isoquinoline;carbanide;1-(chloromethyl)-4-methoxybenzene;methane;bis(1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine);N-[1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-yl]-1-(trifluoromethyl)isoquinolin-6-amine;5H-pyrrolo[3,4-b]pyridin-7-amine
CID 157566998
3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;1-oxido-3-propan-2-ylpyridin-1-ium;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 157698442
(8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-8-[4-chloro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium
CID 158242269
6-bromo-1-(1,1-difluoroethyl)isoquinoline;6-bromoisoquinoline;1-(6-bromoisoquinolin-1-yl)ethanone;1-(1,1-difluoroethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[4,3-b]pyridin-3-amine;trichlorogold;hydrate
CID 158613950
N,2-bis[(4-methoxyphenyl)methyl]-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;7-bromo-N,2-bis[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinolin-4-amine;7-bromo-4-chloro-2-[(4-methoxyphenyl)methyl]pyrazolo[3,4-c]quinoline;1-bromo-2-ethoxyethane;cis-(1S,2S)-2-ethyl-N-methylcyclohexan-1-amine;2-(2-ethoxyethyl)-7-pyrazol-1-ylpyrazolo[3,4-c]quinolin-4-amine;iodocopper;(4-methoxyphenyl)methanamine;7-pyrazol-1-yl-3H-pyrazolo[5,4-c]quinolin-4-amine;2H-pyrrole;2,2,2-trifluoroacetaldehyde
CID 159871012
1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1-methylpyrazol-4-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(1H-pyrazol-5-yl)indole;1-butyl-5-[[4-[(2-chlorophenyl)methyl]piperazin-1-yl]methyl]-3-(2H-pyrrol-4-yl)indole;1-butyl-5-[[4-[(2,3-dimethylimidazol-4-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole;1-butyl-5-[[4-[(2-methyl-1H-imidazol-5-yl)methyl]piperazin-1-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]indole
CID 160450569
CID 160868839
CID 160868839
(8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-8-[4-bromo-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium;(8S)-8-[4-chloro-2-(trifluoromethyl)phenyl]-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-2-[6-methoxy-5-(5-methyl-1H-imidazol-3-ium-3-yl)-2-pyridinyl]-8-[2-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine;(8S)-2-[6-methoxy-5-(4-methylimidazol-1-yl)-2-pyridinyl]-8-(4-methoxy-2-methyl-5-propan-2-ylphenyl)-5,6,7,8-tetrahydro-3H-[1,2,4]triazolo[1,5-a]pyridin-4-ium
CID 161029966
3-bromo-5-propan-2-ylpyridine;3-chloro-5-propan-2-ylpyridine;N,N-dimethyl-2-propan-2-ylpyrimidin-5-amine;2-ethoxy-5-propan-2-ylpyridine;3-fluoro-5-propan-2-ylpyridine;2-methoxy-5-propan-2-ylpyridine;3-(4-methylphenyl)-5-propan-2-yl-1H-1,2,4-triazole;1-methyl-4-propan-2-ylbenzotriazole;1-methyl-4-propan-2-ylindole;2-methyl-5-propan-2-ylpyrazine;bis(3-methyl-5-propan-2-ylpyridine);4-methyl-3-propan-2-ylpyridine;1-methyl-3-propan-2-ylpyridin-1-ium;2-methyl-5-propan-2-ylpyrimidine;5-methyl-2-propan-2-ylpyrimidine;3-phenyl-5-propan-2-yl-1H-1,2,4-triazole;4-propan-2-yl-2H-benzotriazole;4-propan-2-yl-1H-indole;4-propan-2-ylisoquinoline;2-propan-2-ylpyrimidin-5-amine;5-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;4-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)pyridine;2-propan-2-yl-5-(trifluoromethyl)pyrazine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 161926717
8-N-ethyl-3-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinoline-3,8-diamine;8-N-ethyl-3-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinoline-3,8-diamine;1-(2-methyl-5-methylidenepyrrolidin-1-yl)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(5H-pyrrolo[3,4-b]pyridin-7-yl)isoquinolin-6-amine;8-morpholin-4-yl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)quinolin-3-amine;8-morpholin-4-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)quinolin-3-amine;N-(5H-pyrrolo[3,4-b]pyridin-7-yl)-1-pyrrolo[2,3-c]pyridin-1-ylisoquinolin-6-amine
CID 157620601
1-N-ethyl-1-N-methyl-6-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinoline-1,6-diamine;1-(2-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-(4-methylphenoxy)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;1-methyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)isoquinolin-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1-pyrazol-1-ylisoquinolin-6-amine
CID 158015929
3-bromo-4-methyl-5-pyridin-4-ylpyridine;N,N-dimethyl-1-[2-[5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)-1H-indazol-3-yl]-1H-benzimidazol-4-yl]methanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4-methyl-5-pyridin-4-yl-3-pyridinyl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine;1-[2-[1-[(4-methoxyphenyl)methyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-1H-benzimidazol-4-yl]-N,N-dimethylmethanamine
CID 158034853

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-chloroisoquinoline;6-bromo-1-[(3R)-3-fluoropyrrolidin-1-yl]isoquinoline;(3R)-3-fluoropyrrolidine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]isoquinolin-6-amine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine?
The IUPAC name of 6-bromo-1-chloroisoquinoline;6-bromo-1-[(3R)-3-fluoropyrrolidin-1-yl]isoquinoline;(3R)-3-fluoropyrrolidine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]isoquinolin-6-amine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine (CID 158212226) is 6-bromo-1-chloroisoquinoline;6-bromo-1-[(3R)-3-fluoropyrrolidin-1-yl]isoquinoline;(3R)-3-fluoropyrrolidine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]isoquinolin-6-amine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine.
What is the SMILES notation for 6-bromo-1-chloroisoquinoline;6-bromo-1-[(3R)-3-fluoropyrrolidin-1-yl]isoquinoline;(3R)-3-fluoropyrrolidine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]isoquinolin-6-amine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine?
The canonical SMILES for 6-bromo-1-chloroisoquinoline;6-bromo-1-[(3R)-3-fluoropyrrolidin-1-yl]isoquinoline;(3R)-3-fluoropyrrolidine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]isoquinolin-6-amine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine is COc1ccc(Cn2nc(N)c3nccnc32)cc1.COc1ccc(Cn2nc(Nc3ccc4c(N5CC[C@@H](F)C5)nccc4c3)c3nccnc32)cc1.Clc1nccc2cc(Br)ccc12.F[C@@H]1CCN(c2nccc3cc(Br)ccc23)C1.F[C@@H]1CCN(c2nccc3cc(Nc4[nH]nc5nccnc45)ccc23)C1.F[C@@H]1CCNC1.
What is the InChIKey of 6-bromo-1-chloroisoquinoline;6-bromo-1-[(3R)-3-fluoropyrrolidin-1-yl]isoquinoline;(3R)-3-fluoropyrrolidine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]isoquinolin-6-amine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine?
The InChIKey is GCFHVCYAUZTPMU-ADZRNILQSA-N. The full InChI is InChI=1S/C26H24FN7O.C18H16FN7.C13H12BrFN2.C13H13N5O.C9H5BrClN.C4H8FN/c1-35-21-5-2-17(3-6-21)15-34-26-23(28-11-12-30-26)24(32-34)31-20-4-7-22-18(14-20)8-10-29-25(22)33-13-9-19(27)16-33;19-12-4-8-26(10-12)18-14-2-1-13(9-11(14)3-5-22-18)23-17-15-16(24-25-17)21-7-6-20-15;14-10-1-2-12-9(7-10)3-5-16-13(12)17-6-4-11(15)8-17;1-19-10-4-2-9(3-5-10)8-18-13-11(12(14)17-18)15-6-7-16-13;10-7-1-2-8-6(5-7)3-4-12-9(8)11;5-4-1-2-6-3-4/h2-8,10-12,14,19H,9,13,15-16H2,1H3,(H,31,32);1-3,5-7,9,12H,4,8,10H2,(H2,21,23,24,25);1-3,5,7,11H,4,6,8H2;2-7H,8H2,1H3,(H2,14,17);1-5H;4,6H,1-3H2/t19-;12-;11-;;;4-/m111..1/s1.
What are the key properties of 6-bromo-1-chloroisoquinoline;6-bromo-1-[(3R)-3-fluoropyrrolidin-1-yl]isoquinoline;(3R)-3-fluoropyrrolidine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]isoquinolin-6-amine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine?
6-bromo-1-chloroisoquinoline;6-bromo-1-[(3R)-3-fluoropyrrolidin-1-yl]isoquinoline;(3R)-3-fluoropyrrolidine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]isoquinolin-6-amine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine has a molecular weight of 1700.95 g/mol, XLogP of 16.90, 13 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-chloroisoquinoline;6-bromo-1-[(3R)-3-fluoropyrrolidin-1-yl]isoquinoline;(3R)-3-fluoropyrrolidine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-[1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-yl]isoquinolin-6-amine;1-[(3R)-3-fluoropyrrolidin-1-yl]-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)isoquinolin-6-amine;1-[(4-methoxyphenyl)methyl]pyrazolo[3,4-b]pyrazin-3-amine is sourced from PubChem (CID 158212226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).