5-[7-[4-[2-[7-[4-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]furan-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol

C66H44N18O2S2 — CID 145033329

IUPAC5-[7-[4-[2-[7-[4-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]furan-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2cc3c(-c4nc5c(-c6ccsc6)cccc5[nH]4)n[nH]c3c(-c3cc(-c4cccc5[nH]c(-c6n[nH]c7c(-c8cc(-c9cccc%10[nH]c(-c%11n[nH]c%12cnc(C%13CCNCC%13)cc%11%12)nc9%10)co8)nc(-c8ccncc8)cc67)nc45)cs3)n2)c1
InChIInChI=1S/C66H44N18O2S2/c85-38-20-35(26-69-27-38)50-25-44-58(81-84-61(44)66-74-45-7-1-4-39(54(45)76-66)34-14-19-87-30-34)63(72-50)53-22-37(31-88-53)41-6-3-9-47-56(41)78-65(75-47)60-43-24-49(33-12-17-68-18-13-33)71-62(57(43)80-83-60)52-21-36(29-86-52)40-5-2-8-46-55(40)77-64(73-46)59-42-23-48(32-10-15-67-16-11-32)70-28-51(42)79-82-59/h1-9,12-14,17-32,67,85H,10-11,15-16H2,(H,73,77)(H,74,76)(H,75,78)(H,79,82)(H,80,83)(H,81,84)
InChIKeyDWXYKDMJFAXJQK-UHFFFAOYSA-N
MW1185.34 g/mol
LogP14.48
Rot. Bonds11

About 5-[7-[4-[2-[7-[4-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]furan-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol

5-[7-[4-[2-[7-[4-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]furan-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol (PubChem CID 145033329) has the molecular formula C66H44N18O2S2 and a molecular weight of 1185.34 g/mol. Its IUPAC name is 5-[7-[4-[2-[7-[4-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]furan-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol.

Molecular Properties

Compound Name5-[7-[4-[2-[7-[4-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]furan-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
PubChem CID145033329
Molecular FormulaC66H44N18O2S2
Molecular Weight1185.34 g/mol
Exact Mass1184.33
IUPAC Name5-[7-[4-[2-[7-[4-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]furan-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol
SMILESOc1cncc(-c2cc3c(-c4nc5c(-c6ccsc6)cccc5[nH]4)n[nH]c3c(-c3cc(-c4cccc5[nH]c(-c6n[nH]c7c(-c8cc(-c9cccc%10[nH]c(-c%11n[nH]c%12cnc(C%13CCNCC%13)cc%11%12)nc9%10)co8)nc(-c8ccncc8)cc67)nc45)cs3)n2)c1
InChIInChI=1S/C66H44N18O2S2/c85-38-20-35(26-69-27-38)50-25-44-58(81-84-61(44)66-74-45-7-1-4-39(54(45)76-66)34-14-19-87-30-34)63(72-50)53-22-37(31-88-53)41-6-3-9-47-56(41)78-65(75-47)60-43-24-49(33-12-17-68-18-13-33)71-62(57(43)80-83-60)52-21-36(29-86-52)40-5-2-8-46-55(40)77-64(73-46)59-42-23-48(32-10-15-67-16-11-32)70-28-51(42)79-82-59/h1-9,12-14,17-32,67,85H,10-11,15-16H2,(H,73,77)(H,74,76)(H,75,78)(H,79,82)(H,80,83)(H,81,84)
InChIKeyDWXYKDMJFAXJQK-UHFFFAOYSA-N
XLogP14.48
TPSA281.93 Ų
H-Bond Donors8
H-Bond Acceptors16
Rotatable Bonds11
Heavy Atoms88
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001185.34
LogP ≤ 514.48
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1016

Analyze 5-[7-[4-[2-[7-[4-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]furan-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol with MolForge

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Related Compounds

N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145032836
5-[3-[4-[5-[5-(1-azabicyclo[4.1.0]hepta-2,4-dien-3-yl)-4-fluoro-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-c]pyridin-7-yl]furan-3-yl]-1H-benzimidazol-2-yl]-4-fluoro-1H-pyrazolo[3,4-c]pyridin-5-yl]-N,N-dimethylpyridin-3-amine
CID 145033221
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
1-benzofuran;5-(1,1-difluoroethyl)-1H-pyrazole;2-(1,1-difluoroethyl)pyridine;N,N-dimethylpyrazin-2-amine;2,3-dimethylpyridine;3,5-dimethylpyridine;N,N-dimethylpyrimidin-2-amine;2,4-dimethyl-1,3-thiazole;2-ethyl-6-methoxypyridine;N-ethyl-N-methyl-1,3-thiazol-2-amine;2-fluoro-3-methylpyridine;2-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;3-methoxypyridine;4-methoxypyridine;2-methylpyrazine;2-methylpyridine;tris(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;2-pyrrolidin-1-yl-1,3-thiazole;3-(trifluoromethyl)pyridine;4-(trifluoromethyl)pyridine
CID 157457452
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 157634317
1-cyclopentyl-N-[[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]methyl]methanamine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2-(5-pyrimidin-5-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 158576601
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;3,3-dimethyl-N-[5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158732130
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine;N,N-dimethyl-5-[3-(7-thiophen-3-yl-3H-imidazo[4,5-c]pyridin-2-yl)-1H-indazol-5-yl]pyridin-3-amine;5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-N-propan-2-ylpyridin-3-amine;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-1H-indazol-5-yl]-3-pyridinyl]pentanamide
CID 158741564
N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 159123278
N-[5-[3-[7-(2-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]cyclopropanecarboxamide;N-[5-[3-[7-(furan-3-yl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]butanamide;N-[5-[3-(7-thiophen-2-yl-3H-imidazo[4,5-c]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]propanamide;2,2,2-trifluoro-N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]acetamide
CID 159218631
N-[3-[[4-(1-benzofuran-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[3-[[4-(furan-2-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-yl]methyl]-4-methylphenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-phenyl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-[(4-thiophen-2-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)methyl]phenyl]-3-(trifluoromethyl)benzamide
CID 159780650
2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(furan-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(5-methyl-1H-imidazol-3-ium-3-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-(4-methylpiperazin-1-yl)-3H-imidazo[4,5-c]pyridine;2-[5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-1H-indazol-3-yl]-7-thiophen-3-yl-3H-imidazo[4,5-c]pyridine
CID 159968877

Frequently Asked Questions

What is the IUPAC name of 5-[7-[4-[2-[7-[4-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]furan-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol?
The IUPAC name of 5-[7-[4-[2-[7-[4-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]furan-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol (CID 145033329) is 5-[7-[4-[2-[7-[4-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]furan-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol.
What is the SMILES notation for 5-[7-[4-[2-[7-[4-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]furan-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol?
The canonical SMILES for 5-[7-[4-[2-[7-[4-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]furan-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol is Oc1cncc(-c2cc3c(-c4nc5c(-c6ccsc6)cccc5[nH]4)n[nH]c3c(-c3cc(-c4cccc5[nH]c(-c6n[nH]c7c(-c8cc(-c9cccc%10[nH]c(-c%11n[nH]c%12cnc(C%13CCNCC%13)cc%11%12)nc9%10)co8)nc(-c8ccncc8)cc67)nc45)cs3)n2)c1.
What is the InChIKey of 5-[7-[4-[2-[7-[4-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]furan-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol?
The InChIKey is DWXYKDMJFAXJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H44N18O2S2/c85-38-20-35(26-69-27-38)50-25-44-58(81-84-61(44)66-74-45-7-1-4-39(54(45)76-66)34-14-19-87-30-34)63(72-50)53-22-37(31-88-53)41-6-3-9-47-56(41)78-65(75-47)60-43-24-49(33-12-17-68-18-13-33)71-62(57(43)80-83-60)52-21-36(29-86-52)40-5-2-8-46-55(40)77-64(73-46)59-42-23-48(32-10-15-67-16-11-32)70-28-51(42)79-82-59/h1-9,12-14,17-32,67,85H,10-11,15-16H2,(H,73,77)(H,74,76)(H,75,78)(H,79,82)(H,80,83)(H,81,84).
What are the key properties of 5-[7-[4-[2-[7-[4-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]furan-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol?
5-[7-[4-[2-[7-[4-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]furan-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol has a molecular weight of 1185.34 g/mol, XLogP of 14.48, 11 rotatable bonds, 8 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-[4-[2-[7-[4-[2-(5-piperidin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl)-1H-benzimidazol-4-yl]furan-2-yl]-5-pyridin-4-yl-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]thiophen-2-yl]-3-(4-thiophen-3-yl-1H-benzimidazol-2-yl)-1H-pyrazolo[3,4-c]pyridin-5-yl]pyridin-3-ol is sourced from PubChem (CID 145033329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).