N-[[2-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]-N-ethylethanamine;N-ethyl-N-[[2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]ethanamine;4-[3-[4-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline;4-[3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline

C100H92BrN27 — CID 158507895

IUPACN-[[2-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]-N-ethylethanamine;N-ethyl-N-[[2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]ethanamine;4-[3-[4-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline;4-[3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline
SMILESCCN(CC)Cc1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc6ccccc56)cc34)nc12.CCN(CC)Cc1cccc2[nH]c(-c3[nH]nc4ncc(Br)cc34)nc12.c1ccc2c(-c3cnc4n[nH]c(-c5nc6c(CN7CCCC7)cccc6[nH]5)c4c3)cncc2c1.c1ccc2c(-c3cnc4n[nH]c(-c5nc6c(CN7CCCCC7)cccc6[nH]5)c4c3)cncc2c1
InChIInChI=1S/C28H25N7.C27H23N7.C27H25N7.C18H19BrN6/c1-4-11-35(12-5-1)17-19-8-6-10-24-25(19)32-28(31-24)26-22-13-20(15-30-27(22)34-33-26)23-16-29-14-18-7-2-3-9-21(18)23;1-2-8-20-17(6-1)13-28-15-22(20)19-12-21-25(32-33-26(21)29-14-19)27-30-23-9-5-7-18(24(23)31-27)16-34-10-3-4-11-34;1-3-34(4-2)16-18-9-7-11-23-24(18)31-27(30-23)25-21-12-19(14-29-26(21)33-32-25)22-15-28-13-17-8-5-6-10-20(17)22;1-3-25(4-2)10-11-6-5-7-14-15(11)22-18(21-14)16-13-8-12(19)9-20-17(13)24-23-16/h2-3,6-10,13-16H,1,4-5,11-12,17H2,(H,31,32)(H,30,33,34);1-2,5-9,12-15H,3-4,10-11,16H2,(H,30,31)(H,29,32,33);5-15H,3-4,16H2,1-2H3,(H,30,31)(H,29,32,33);5-9H,3-4,10H2,1-2H3,(H,21,22)(H,20,23,24)
InChIKeyHKRJUJRUPXYFMC-UHFFFAOYSA-N
MW1751.93 g/mol
LogP20.68
Rot. Bonds19

About N-[[2-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]-N-ethylethanamine;N-ethyl-N-[[2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]ethanamine;4-[3-[4-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline;4-[3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline

N-[[2-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]-N-ethylethanamine;N-ethyl-N-[[2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]ethanamine;4-[3-[4-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline;4-[3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline (PubChem CID 158507895) has the molecular formula C100H92BrN27 and a molecular weight of 1751.93 g/mol. Its IUPAC name is N-[[2-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]-N-ethylethanamine;N-ethyl-N-[[2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]ethanamine;4-[3-[4-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline;4-[3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline.

Molecular Properties

Compound NameN-[[2-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]-N-ethylethanamine;N-ethyl-N-[[2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]ethanamine;4-[3-[4-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline;4-[3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline
PubChem CID158507895
Molecular FormulaC100H92BrN27
Molecular Weight1751.93 g/mol
Exact Mass1749.72
IUPAC NameN-[[2-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]-N-ethylethanamine;N-ethyl-N-[[2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]ethanamine;4-[3-[4-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline;4-[3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline
SMILESCCN(CC)Cc1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc6ccccc56)cc34)nc12.CCN(CC)Cc1cccc2[nH]c(-c3[nH]nc4ncc(Br)cc34)nc12.c1ccc2c(-c3cnc4n[nH]c(-c5nc6c(CN7CCCC7)cccc6[nH]5)c4c3)cncc2c1.c1ccc2c(-c3cnc4n[nH]c(-c5nc6c(CN7CCCCC7)cccc6[nH]5)c4c3)cncc2c1
InChIInChI=1S/C28H25N7.C27H23N7.C27H25N7.C18H19BrN6/c1-4-11-35(12-5-1)17-19-8-6-10-24-25(19)32-28(31-24)26-22-13-20(15-30-27(22)34-33-26)23-16-29-14-18-7-2-3-9-21(18)23;1-2-8-20-17(6-1)13-28-15-22(20)19-12-21-25(32-33-26(21)29-14-19)27-30-23-9-5-7-18(24(23)31-27)16-34-10-3-4-11-34;1-3-34(4-2)16-18-9-7-11-23-24(18)31-27(30-23)25-21-12-19(14-29-26(21)33-32-25)22-15-28-13-17-8-5-6-10-20(17)22;1-3-25(4-2)10-11-6-5-7-14-15(11)22-18(21-14)16-13-8-12(19)9-20-17(13)24-23-16/h2-3,6-10,13-16H,1,4-5,11-12,17H2,(H,31,32)(H,30,33,34);1-2,5-9,12-15H,3-4,10-11,16H2,(H,30,31)(H,29,32,33);5-15H,3-4,16H2,1-2H3,(H,30,31)(H,29,32,33);5-9H,3-4,10H2,1-2H3,(H,21,22)(H,20,23,24)
InChIKeyHKRJUJRUPXYFMC-UHFFFAOYSA-N
XLogP20.68
TPSA332.63 Ų
H-Bond Donors8
H-Bond Acceptors19
Rotatable Bonds19
Heavy Atoms128
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001751.93
LogP ≤ 520.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1019

Analyze N-[[2-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]-N-ethylethanamine;N-ethyl-N-[[2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]ethanamine;4-[3-[4-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline;4-[3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline with MolForge

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

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Related Compounds

7-[2-bromo-4-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]-3-(1H-indazol-4-yl)-2-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 49836541
3-(1H-indazol-4-yl)-7-(3-((1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)phenyl)-2-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 49836856
4-(3-(4-methyl-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)isoquinoline
CID 135497852
N-ethyl-N-((2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzo[d]imidazol-4-yl)methyl)ethanamine
CID 135497855
N-((2-(5-(isoquinolin-4-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzo[d]imidazol-4-yl)methyl)propan-2-amine
CID 135497865
4-(3-(5-(4-methylpiperazin-1-yl)-1H-benzo[d]imidazol-2-yl)-1H-pyrazolo[3,4-b]pyridin-5-yl)isoquinoline
CID 135497876
N,N-dimethyl-1-[5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methanamine
CID 136214348
N,N-dimethyl-5-[3-(4-pyridin-3-yl-1H-benzimidazol-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]pyridin-3-amine
CID 136214347
1-[5-[3-[4-(3-fluoro-5-piperidin-1-ylphenyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine
CID 136262684
1-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]phenyl]-N,N-dimethylmethanamine
CID 136262698
N-[3-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136496041
N-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-1H-benzimidazol-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine
CID 136496042

Frequently Asked Questions

What is the IUPAC name of N-[[2-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]-N-ethylethanamine;N-ethyl-N-[[2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]ethanamine;4-[3-[4-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline;4-[3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline?
The IUPAC name of N-[[2-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]-N-ethylethanamine;N-ethyl-N-[[2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]ethanamine;4-[3-[4-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline;4-[3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline (CID 158507895) is N-[[2-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]-N-ethylethanamine;N-ethyl-N-[[2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]ethanamine;4-[3-[4-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline;4-[3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline.
What is the SMILES notation for N-[[2-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]-N-ethylethanamine;N-ethyl-N-[[2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]ethanamine;4-[3-[4-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline;4-[3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline?
The canonical SMILES for N-[[2-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]-N-ethylethanamine;N-ethyl-N-[[2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]ethanamine;4-[3-[4-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline;4-[3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline is CCN(CC)Cc1cccc2[nH]c(-c3[nH]nc4ncc(-c5cncc6ccccc56)cc34)nc12.CCN(CC)Cc1cccc2[nH]c(-c3[nH]nc4ncc(Br)cc34)nc12.c1ccc2c(-c3cnc4n[nH]c(-c5nc6c(CN7CCCC7)cccc6[nH]5)c4c3)cncc2c1.c1ccc2c(-c3cnc4n[nH]c(-c5nc6c(CN7CCCCC7)cccc6[nH]5)c4c3)cncc2c1.
What is the InChIKey of N-[[2-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]-N-ethylethanamine;N-ethyl-N-[[2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]ethanamine;4-[3-[4-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline;4-[3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline?
The InChIKey is HKRJUJRUPXYFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N7.C27H23N7.C27H25N7.C18H19BrN6/c1-4-11-35(12-5-1)17-19-8-6-10-24-25(19)32-28(31-24)26-22-13-20(15-30-27(22)34-33-26)23-16-29-14-18-7-2-3-9-21(18)23;1-2-8-20-17(6-1)13-28-15-22(20)19-12-21-25(32-33-26(21)29-14-19)27-30-23-9-5-7-18(24(23)31-27)16-34-10-3-4-11-34;1-3-34(4-2)16-18-9-7-11-23-24(18)31-27(30-23)25-21-12-19(14-29-26(21)33-32-25)22-15-28-13-17-8-5-6-10-20(17)22;1-3-25(4-2)10-11-6-5-7-14-15(11)22-18(21-14)16-13-8-12(19)9-20-17(13)24-23-16/h2-3,6-10,13-16H,1,4-5,11-12,17H2,(H,31,32)(H,30,33,34);1-2,5-9,12-15H,3-4,10-11,16H2,(H,30,31)(H,29,32,33);5-15H,3-4,16H2,1-2H3,(H,30,31)(H,29,32,33);5-9H,3-4,10H2,1-2H3,(H,21,22)(H,20,23,24).
What are the key properties of N-[[2-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]-N-ethylethanamine;N-ethyl-N-[[2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]ethanamine;4-[3-[4-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline;4-[3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline?
N-[[2-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]-N-ethylethanamine;N-ethyl-N-[[2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]ethanamine;4-[3-[4-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline;4-[3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline has a molecular weight of 1751.93 g/mol, XLogP of 20.68, 19 rotatable bonds, 8 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(5-bromo-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]-N-ethylethanamine;N-ethyl-N-[[2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazol-4-yl]methyl]ethanamine;4-[3-[4-(piperidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline;4-[3-[4-(pyrrolidin-1-ylmethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]isoquinoline is sourced from PubChem (CID 158507895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).