N-[[5-[3-(5,6-difluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[5-[3-(6-fluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;2-[5-[5-(methylaminomethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-benzimidazole-5-carbonitrile;methyl 2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylate

C87H67F3N28O2 — CID 158424587

IUPACN-[[5-[3-(5,6-difluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[5-[3-(6-fluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;2-[5-[5-(methylaminomethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-benzimidazole-5-carbonitrile;methyl 2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylate
SMILESCCNCc1cncc(-c2cnc3n[nH]c(-c4nc5cc(F)c(F)cc5[nH]4)c3c2)c1.CCNCc1cncc(-c2cnc3n[nH]c(-c4nc5ccc(F)cc5[nH]4)c3c2)c1.CNCc1cncc(-c2cnc3n[nH]c(-c4nc5ccc(C#N)cc5[nH]4)c3c2)c1.COC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc6ccccc56)cc34)nc12
InChIInChI=1S/C24H16N6O2.C21H17F2N7.C21H18FN7.C21H16N8/c1-32-24(31)16-7-4-8-19-20(16)28-23(27-19)21-17-9-14(11-26-22(17)30-29-21)18-12-25-10-13-5-2-3-6-15(13)18;1-2-24-7-11-3-12(9-25-8-11)13-4-14-19(29-30-20(14)26-10-13)21-27-17-5-15(22)16(23)6-18(17)28-21;1-2-23-8-12-5-13(10-24-9-12)14-6-16-19(28-29-20(16)25-11-14)21-26-17-4-3-15(22)7-18(17)27-21;1-23-8-13-4-14(10-24-9-13)15-6-16-19(28-29-20(16)25-11-15)21-26-17-3-2-12(7-22)5-18(17)27-21/h2-12H,1H3,(H,27,28)(H,26,29,30);3-6,8-10,24H,2,7H2,1H3,(H,27,28)(H,26,29,30);3-7,9-11,23H,2,8H2,1H3,(H,26,27)(H,25,28,29);2-6,9-11,23H,8H2,1H3,(H,26,27)(H,25,28,29)
InChIKeyHAWYTDDGYAZYIZ-UHFFFAOYSA-N
MW1593.68 g/mol
LogP15.42
Rot. Bonds17

About N-[[5-[3-(5,6-difluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[5-[3-(6-fluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;2-[5-[5-(methylaminomethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-benzimidazole-5-carbonitrile;methyl 2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylate

N-[[5-[3-(5,6-difluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[5-[3-(6-fluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;2-[5-[5-(methylaminomethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-benzimidazole-5-carbonitrile;methyl 2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylate (PubChem CID 158424587) has the molecular formula C87H67F3N28O2 and a molecular weight of 1593.68 g/mol. Its IUPAC name is N-[[5-[3-(5,6-difluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[5-[3-(6-fluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;2-[5-[5-(methylaminomethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-benzimidazole-5-carbonitrile;methyl 2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylate.

Molecular Properties

Compound NameN-[[5-[3-(5,6-difluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[5-[3-(6-fluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;2-[5-[5-(methylaminomethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-benzimidazole-5-carbonitrile;methyl 2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylate
PubChem CID158424587
Molecular FormulaC87H67F3N28O2
Molecular Weight1593.68 g/mol
Exact Mass1592.60
IUPAC NameN-[[5-[3-(5,6-difluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[5-[3-(6-fluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;2-[5-[5-(methylaminomethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-benzimidazole-5-carbonitrile;methyl 2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylate
SMILESCCNCc1cncc(-c2cnc3n[nH]c(-c4nc5cc(F)c(F)cc5[nH]4)c3c2)c1.CCNCc1cncc(-c2cnc3n[nH]c(-c4nc5ccc(F)cc5[nH]4)c3c2)c1.CNCc1cncc(-c2cnc3n[nH]c(-c4nc5ccc(C#N)cc5[nH]4)c3c2)c1.COC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc6ccccc56)cc34)nc12
InChIInChI=1S/C24H16N6O2.C21H17F2N7.C21H18FN7.C21H16N8/c1-32-24(31)16-7-4-8-19-20(16)28-23(27-19)21-17-9-14(11-26-22(17)30-29-21)18-12-25-10-13-5-2-3-6-15(13)18;1-2-24-7-11-3-12(9-25-8-11)13-4-14-19(29-30-20(14)26-10-13)21-27-17-5-15(22)16(23)6-18(17)28-21;1-2-23-8-12-5-13(10-24-9-12)14-6-16-19(28-29-20(16)25-11-14)21-26-17-4-3-15(22)7-18(17)27-21;1-23-8-13-4-14(10-24-9-13)15-6-16-19(28-29-20(16)25-11-15)21-26-17-3-2-12(7-22)5-18(17)27-21/h2-12H,1H3,(H,27,28)(H,26,29,30);3-6,8-10,24H,2,7H2,1H3,(H,27,28)(H,26,29,30);3-7,9-11,23H,2,8H2,1H3,(H,26,27)(H,25,28,29);2-6,9-11,23H,8H2,1H3,(H,26,27)(H,25,28,29)
InChIKeyHAWYTDDGYAZYIZ-UHFFFAOYSA-N
XLogP15.42
TPSA418.74 Ų
H-Bond Donors11
H-Bond Acceptors22
Rotatable Bonds17
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001593.68
LogP ≤ 515.42
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1022

Analyze N-[[5-[3-(5,6-difluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[5-[3-(6-fluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;2-[5-[5-(methylaminomethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-benzimidazole-5-carbonitrile;methyl 2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

2-(5-isoquinolin-4-yl-1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzoimidazole-4-carboxylic acid methyl ester
CID 136118032
3-(diethylaminomethyl)benzene-1,2-diamine;N-ethyl-N-[[2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]ethanamine;methyl 5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridine-3-carboxylate
CID 157220683
6-[2-(3-cyclopropylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;6-[2-(3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157332103
N-tert-butyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylic acid;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 157423914
1-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-2-pyridinyl]butan-2-one;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-3-methylbutanamide;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2-methylpropanamide;N-[5-[3-[4-(2-fluorophenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2-[5-[5-(propanoylamino)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazole-4-carboxamide
CID 157503580
3-tert-butylimidazo[1,2-b]pyridazine;6-tert-butyl-1H-indole-4-carboxylic acid;4-tert-butylisoquinoline;5-tert-butyl-3-methyl-2H-indazole;5-tert-butylquinoline;methane;methyl 3-tert-butyl-4-methylbenzoate
CID 157544281
N-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(4-fluoro-2-methylphenyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(6-fluoro-4-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;3-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;methyl 6-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]pyridine-3-carboxylate;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-(pyrimidin-4-ylmethyl)piperidin-4-amine
CID 157615919
N-[(2,3-difluorophenyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(6-fluoro-2-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;N-[(6-fluoro-4-methyl-3-pyridinyl)methyl]-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-amine;3-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]benzonitrile;methyl 6-[[[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]pyridine-3-carboxylate;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-(pyrimidin-4-ylmethyl)piperidin-4-amine
CID 157771316
2-[(1S)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzo[e]benzimidazole;2-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]-3H-benzo[e]benzimidazole;methyl 2-[(1S)-1-[4-(6-fluoroquinolin-5-yl)cyclohexyl]ethyl]-1H-benzimidazole-4-carboxylate
CID 157853227
5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridine-3-carbaldehyde;N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[5-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]propan-2-amine;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrol-3-yl)-2H-pyrazolo[3,4-b]pyridine
CID 157881686
N-(4-aminocyclohexyl)-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;N-cyclopropyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-1H-pyrazolo[5,4-b]pyridin-3-yl)-N-(2-methylphenyl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-1H-pyrazolo[5,4-b]pyridin-3-yl)-N-pyridin-3-yl-1H-benzimidazole-4-carboxamide
CID 157903333
5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1-methylbenzimidazole;6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine;methyl 5-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]-1H-indazole-7-carboxylate;1-methyl-5-[2-(3-methylphenyl)-3-pyridinyl]benzimidazole;1-methyl-6-[2-(3-methylphenyl)-3-pyridinyl]benzimidazole
CID 158253026

Frequently Asked Questions

What is the IUPAC name of N-[[5-[3-(5,6-difluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[5-[3-(6-fluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;2-[5-[5-(methylaminomethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-benzimidazole-5-carbonitrile;methyl 2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylate?
The IUPAC name of N-[[5-[3-(5,6-difluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[5-[3-(6-fluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;2-[5-[5-(methylaminomethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-benzimidazole-5-carbonitrile;methyl 2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylate (CID 158424587) is N-[[5-[3-(5,6-difluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[5-[3-(6-fluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;2-[5-[5-(methylaminomethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-benzimidazole-5-carbonitrile;methyl 2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylate.
What is the SMILES notation for N-[[5-[3-(5,6-difluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[5-[3-(6-fluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;2-[5-[5-(methylaminomethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-benzimidazole-5-carbonitrile;methyl 2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylate?
The canonical SMILES for N-[[5-[3-(5,6-difluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[5-[3-(6-fluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;2-[5-[5-(methylaminomethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-benzimidazole-5-carbonitrile;methyl 2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylate is CCNCc1cncc(-c2cnc3n[nH]c(-c4nc5cc(F)c(F)cc5[nH]4)c3c2)c1.CCNCc1cncc(-c2cnc3n[nH]c(-c4nc5ccc(F)cc5[nH]4)c3c2)c1.CNCc1cncc(-c2cnc3n[nH]c(-c4nc5ccc(C#N)cc5[nH]4)c3c2)c1.COC(=O)c1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc6ccccc56)cc34)nc12.
What is the InChIKey of N-[[5-[3-(5,6-difluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[5-[3-(6-fluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;2-[5-[5-(methylaminomethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-benzimidazole-5-carbonitrile;methyl 2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylate?
The InChIKey is HAWYTDDGYAZYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N6O2.C21H17F2N7.C21H18FN7.C21H16N8/c1-32-24(31)16-7-4-8-19-20(16)28-23(27-19)21-17-9-14(11-26-22(17)30-29-21)18-12-25-10-13-5-2-3-6-15(13)18;1-2-24-7-11-3-12(9-25-8-11)13-4-14-19(29-30-20(14)26-10-13)21-27-17-5-15(22)16(23)6-18(17)28-21;1-2-23-8-12-5-13(10-24-9-12)14-6-16-19(28-29-20(16)25-11-14)21-26-17-4-3-15(22)7-18(17)27-21;1-23-8-13-4-14(10-24-9-13)15-6-16-19(28-29-20(16)25-11-15)21-26-17-3-2-12(7-22)5-18(17)27-21/h2-12H,1H3,(H,27,28)(H,26,29,30);3-6,8-10,24H,2,7H2,1H3,(H,27,28)(H,26,29,30);3-7,9-11,23H,2,8H2,1H3,(H,26,27)(H,25,28,29);2-6,9-11,23H,8H2,1H3,(H,26,27)(H,25,28,29).
What are the key properties of N-[[5-[3-(5,6-difluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[5-[3-(6-fluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;2-[5-[5-(methylaminomethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-benzimidazole-5-carbonitrile;methyl 2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylate?
N-[[5-[3-(5,6-difluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[5-[3-(6-fluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;2-[5-[5-(methylaminomethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-benzimidazole-5-carbonitrile;methyl 2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylate has a molecular weight of 1593.68 g/mol, XLogP of 15.42, 17 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[3-(5,6-difluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;N-[[5-[3-(6-fluoro-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]ethanamine;2-[5-[5-(methylaminomethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-benzimidazole-5-carbonitrile;methyl 2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylate is sourced from PubChem (CID 158424587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).