3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[6-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol

C108H91F2N31O3S — CID 157211825

IUPAC3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[6-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESCC(=O)Nc1nc2ccc(-c3nn(Cc4cc5ccccc5nc4N(C)C(C)C)c4ncnc(N)c34)cc2s1.CC(C)N(C)c1nc2ccccc2cc1Cn1nc(-c2cccc(O)c2)c2c(N)ncnc21.Nc1nc2ccc(-c3nn(Cc4cc5ccccc5nc4-c4ccccc4F)c4ncnc(N)c34)cc2[nH]1.Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1cc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C28H20FN9.C28H27N9OS.C27H19FN6O.C25H25N7O/c29-19-7-3-2-6-18(19)24-17(11-15-5-1-4-8-20(15)34-24)13-38-27-23(26(30)32-14-33-27)25(37-38)16-9-10-21-22(12-16)36-28(31)35-21;1-15(2)36(4)26-19(11-17-7-5-6-8-20(17)33-26)13-37-27-23(25(29)30-14-31-27)24(35-37)18-9-10-21-22(12-18)39-28(34-21)32-16(3)38;28-20-11-18(12-21(35)13-20)25-23-26(29)30-15-31-27(23)34(33-25)14-19-10-17-8-4-5-9-22(17)32-24(19)16-6-2-1-3-7-16;1-15(2)31(3)24-18(11-16-7-4-5-10-20(16)29-24)13-32-25-21(23(26)27-14-28-25)22(30-32)17-8-6-9-19(33)12-17/h1-12,14H,13H2,(H2,30,32,33)(H3,31,35,36);5-12,14-15H,13H2,1-4H3,(H2,29,30,31)(H,32,34,38);1-13,15,35H,14H2,(H2,29,30,31);4-12,14-15,33H,13H2,1-3H3,(H2,26,27,28)
InChIKeyARZAXBODIDCSQS-UHFFFAOYSA-N
MW1941.19 g/mol
LogP19.43
Rot. Bonds19

About 3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[6-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol

3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[6-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (PubChem CID 157211825) has the molecular formula C108H91F2N31O3S and a molecular weight of 1941.19 g/mol. Its IUPAC name is 3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[6-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.

Molecular Properties

Compound Name3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[6-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
PubChem CID157211825
Molecular FormulaC108H91F2N31O3S
Molecular Weight1941.19 g/mol
Exact Mass1939.76
IUPAC Name3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[6-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
SMILESCC(=O)Nc1nc2ccc(-c3nn(Cc4cc5ccccc5nc4N(C)C(C)C)c4ncnc(N)c34)cc2s1.CC(C)N(C)c1nc2ccccc2cc1Cn1nc(-c2cccc(O)c2)c2c(N)ncnc21.Nc1nc2ccc(-c3nn(Cc4cc5ccccc5nc4-c4ccccc4F)c4ncnc(N)c34)cc2[nH]1.Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1cc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C28H20FN9.C28H27N9OS.C27H19FN6O.C25H25N7O/c29-19-7-3-2-6-18(19)24-17(11-15-5-1-4-8-20(15)34-24)13-38-27-23(26(30)32-14-33-27)25(37-38)16-9-10-21-22(12-16)36-28(31)35-21;1-15(2)36(4)26-19(11-17-7-5-6-8-20(17)33-26)13-37-27-23(25(29)30-14-31-27)24(35-37)18-9-10-21-22(12-18)39-28(34-21)32-16(3)38;28-20-11-18(12-21(35)13-20)25-23-26(29)30-15-31-27(23)34(33-25)14-19-10-17-8-4-5-9-22(17)32-24(19)16-6-2-1-3-7-16;1-15(2)31(3)24-18(11-16-7-4-5-10-20(16)29-24)13-32-25-21(23(26)27-14-28-25)22(30-32)17-8-6-9-19(33)12-17/h1-12,14H,13H2,(H2,30,32,33)(H3,31,35,36);5-12,14-15H,13H2,1-4H3,(H2,29,30,31)(H,32,34,38);1-13,15,35H,14H2,(H2,29,30,31);4-12,14-15,33H,13H2,1-3H3,(H2,26,27,28)
InChIKeyARZAXBODIDCSQS-UHFFFAOYSA-N
XLogP19.43
TPSA473.67 Ų
H-Bond Donors9
H-Bond Acceptors33
Rotatable Bonds19
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001941.19
LogP ≤ 519.43
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1033

Analyze 3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[6-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol with MolForge

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Related Compounds

3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;6-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine;N-[6-[4-amino-1-[(2-propan-2-yloxyquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[(2-propan-2-yloxyquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 157216683
bromomethane;N-(6-tert-butyl-1,3-benzothiazol-2-yl)acetamide;2-tert-butyl-5-fluoro-1H-indole;3-tert-butyl-5-fluorophenol;5-tert-butyl-2-fluorophenol;1-tert-butyl-2-methylpiperidine;3-tert-butylphenol;4-tert-butyl-1H-pyrazole;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;2-tert-butylthiophene;3-methyl-1-propan-2-ylindazole;1-propan-2-ylpyrrolo[2,3-b]pyridine
CID 157218771
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-2-(2,6-dimethylpiperidin-4-yl)oxy-4-fluoro-1,3-benzothiazole;N-methyl-6-(2-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-5-(1H-pyrazol-4-yl)phenol
CID 157241689
N-[6-[4-amino-1-[[2-[2-(4-methylpiperazin-1-yl)ethyl]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[2-(4-methylpiperazin-1-yl)ethyl]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-(2-amino-4-pyridinyl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-(2-amino-4-pyridinyl)-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 157269005
3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[[2-(dimethylamino)-3-pyridinyl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;N-[6-[4-amino-1-[[2-(dimethylamino)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;6-[4-amino-1-[[2-(2-methylphenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]quinolin-2-amine
CID 157458672
3-[4-Amino-1-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol;3-[4-amino-1-[(8-methyl-2-morpholin-4-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;6-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine;3-[4-amino-1-[(2-pyrrolidin-1-ylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol
CID 157826486
N-(1,2-dimethylpiperidin-4-yl)-6-(7-isocyano-2-methylindazol-5-yl)-N-methyl-[1,3]thiazolo[4,5-c]pyridin-2-amine;2-[6-[methyl-[3-(methylamino)cyclobutyl]amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[methyl-(1-methylpyrrolidin-3-yl)amino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol
CID 157891485
1-[6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-1,3-benzothiazol-2-yl]piperidin-4-ol;N-methyl-6-(2-methylimidazo[1,2-b]pyridazin-6-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)-[1,3]thiazolo[4,5-b]pyrazin-2-amine;2-[2-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-[1,3]thiazolo[5,4-d]pyrimidin-5-yl]-5-(1H-pyrazol-4-yl)phenol
CID 157915073
5-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-pyridin-2-one;6-[4-amino-1-[[2-(2-pyrrolidin-1-ylethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine;N-[6-[4-amino-1-[[2-(2-pyrrolidin-1-ylethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-(2-pyrrolidin-1-ylethyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol
CID 157979342
1,2-dimethylbenzimidazole;5-methyl-1,2,3-benzothiadiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;(2-methylcyclopenta-1,4-dien-1-yl)benzene;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;4-methyl-1-phenylpyrazole;2-methylpteridine;4-methylpteridine;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methylpyrido[2,3-b]pyrazine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine;1,2,3-trimethylindole
CID 157997487
5-fluoro-3-methyl-1H-indole;5-methyl-1,2,3-benzothiadiazole;2-methyl-1,3-benzothiazole;4-methyl-2H-benzotriazole;5-methyl-2H-benzotriazole;2-methylimidazo[1,2-a]pyridine;3-methylimidazo[1,2-a]pyridine;3-methyl-1H-indole;3-methyl-1H-indol-5-ol;5-methyl-2-phenyl-1H-imidazole;5-methyl-4-phenyl-1H-imidazole;5-methyl-3-phenyl-1,2,4-oxadiazole;2-methyl-7H-purine;6-methyl-7H-purine;8-methyl-7H-purine;3-methylpyrazolo[1,5-a]pyridine;3-methyl-1H-pyrrolo[2,3-b]pyridine;7-methyl-[1,3]thiazolo[5,4-d]pyrimidine;3-(5-methyl-1H-1,2,4-triazol-3-yl)pyridine
CID 158179994
6-[4-amino-1-[[2-(4-methylimidazol-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-amine;N-[6-[4-amino-1-[[2-(4-methylpiperazin-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1H-benzimidazol-2-yl]acetamide;N-[6-[4-amino-1-[[2-(2-methylpyrrolidin-1-yl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide
CID 158333020

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[6-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The IUPAC name of 3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[6-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol (CID 157211825) is 3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[6-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol.
What is the SMILES notation for 3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[6-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The canonical SMILES for 3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[6-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is CC(=O)Nc1nc2ccc(-c3nn(Cc4cc5ccccc5nc4N(C)C(C)C)c4ncnc(N)c34)cc2s1.CC(C)N(C)c1nc2ccccc2cc1Cn1nc(-c2cccc(O)c2)c2c(N)ncnc21.Nc1nc2ccc(-c3nn(Cc4cc5ccccc5nc4-c4ccccc4F)c4ncnc(N)c34)cc2[nH]1.Nc1ncnc2c1c(-c1cc(O)cc(F)c1)nn2Cc1cc2ccccc2nc1-c1ccccc1.
What is the InChIKey of 3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[6-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
The InChIKey is ARZAXBODIDCSQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20FN9.C28H27N9OS.C27H19FN6O.C25H25N7O/c29-19-7-3-2-6-18(19)24-17(11-15-5-1-4-8-20(15)34-24)13-38-27-23(26(30)32-14-33-27)25(37-38)16-9-10-21-22(12-16)36-28(31)35-21;1-15(2)36(4)26-19(11-17-7-5-6-8-20(17)33-26)13-37-27-23(25(29)30-14-31-27)24(35-37)18-9-10-21-22(12-18)39-28(34-21)32-16(3)38;28-20-11-18(12-21(35)13-20)25-23-26(29)30-15-31-27(23)34(33-25)14-19-10-17-8-4-5-9-22(17)32-24(19)16-6-2-1-3-7-16;1-15(2)31(3)24-18(11-16-7-4-5-10-20(16)29-24)13-32-25-21(23(26)27-14-28-25)22(30-32)17-8-6-9-19(33)12-17/h1-12,14H,13H2,(H2,30,32,33)(H3,31,35,36);5-12,14-15H,13H2,1-4H3,(H2,29,30,31)(H,32,34,38);1-13,15,35H,14H2,(H2,29,30,31);4-12,14-15,33H,13H2,1-3H3,(H2,26,27,28).
What are the key properties of 3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[6-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol?
3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[6-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol has a molecular weight of 1941.19 g/mol, XLogP of 19.43, 19 rotatable bonds, 9 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3H-benzimidazol-5-yl)-1-[[2-(2-fluorophenyl)quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine;N-[6-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-1,3-benzothiazol-2-yl]acetamide;3-[4-amino-1-[[2-[methyl(propan-2-yl)amino]quinolin-3-yl]methyl]pyrazolo[3,4-d]pyrimidin-3-yl]phenol;3-[4-amino-1-[(2-phenylquinolin-3-yl)methyl]pyrazolo[3,4-d]pyrimidin-3-yl]-5-fluorophenol is sourced from PubChem (CID 157211825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).