5-[1-(benzenesulfonyl)indol-3-yl]-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine

C95H75N25O8S2 — CID 157473514

IUPAC5-[1-(benzenesulfonyl)indol-3-yl]-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5c[nH]c6ccccc56)cc34)nc12.COCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5c[nH]c6ncccc56)cc34)nc12.COCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5ccc(S(N)(=O)=O)cc5)cc34)nc12.COCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5cn(S(=O)(=O)c6ccccc6)c6ccccc56)cc34)nc12
InChIInChI=1S/C29H22N6O3S.C23H18N6O.C22H17N7O.C21H18N6O3S/c1-38-17-18-8-7-12-24-26(18)32-29(31-24)27-22-14-19(15-30-28(22)34-33-27)23-16-35(25-13-6-5-11-21(23)25)39(36,37)20-9-3-2-4-10-20;1-30-12-13-5-4-8-19-20(13)27-23(26-19)21-16-9-14(10-25-22(16)29-28-21)17-11-24-18-7-3-2-6-15(17)18;1-30-11-12-4-2-6-17-18(12)27-22(26-17)19-15-8-13(9-24-21(15)29-28-19)16-10-25-20-14(16)5-3-7-23-20;1-30-11-13-3-2-4-17-18(13)25-21(24-17)19-16-9-14(10-23-20(16)27-26-19)12-5-7-15(8-6-12)31(22,28)29/h2-16H,17H2,1H3,(H,31,32)(H,30,33,34);2-11,24H,12H2,1H3,(H,26,27)(H,25,28,29);2-10H,11H2,1H3,(H,23,25)(H,26,27)(H,24,28,29);2-10H,11H2,1H3,(H,24,25)(H2,22,28,29)(H,23,26,27)
InChIKeyBVHVJEKIAPKYKS-UHFFFAOYSA-N
MW1758.95 g/mol
LogP17.46
Rot. Bonds19

About 5-[1-(benzenesulfonyl)indol-3-yl]-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine

5-[1-(benzenesulfonyl)indol-3-yl]-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 157473514) has the molecular formula C95H75N25O8S2 and a molecular weight of 1758.95 g/mol. Its IUPAC name is 5-[1-(benzenesulfonyl)indol-3-yl]-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

Compound Name5-[1-(benzenesulfonyl)indol-3-yl]-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine
PubChem CID157473514
Molecular FormulaC95H75N25O8S2
Molecular Weight1758.95 g/mol
Exact Mass1757.57
IUPAC Name5-[1-(benzenesulfonyl)indol-3-yl]-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine
SMILESCOCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5c[nH]c6ccccc56)cc34)nc12.COCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5c[nH]c6ncccc56)cc34)nc12.COCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5ccc(S(N)(=O)=O)cc5)cc34)nc12.COCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5cn(S(=O)(=O)c6ccccc6)c6ccccc56)cc34)nc12
InChIInChI=1S/C29H22N6O3S.C23H18N6O.C22H17N7O.C21H18N6O3S/c1-38-17-18-8-7-12-24-26(18)32-29(31-24)27-22-14-19(15-30-28(22)34-33-27)23-16-35(25-13-6-5-11-21(23)25)39(36,37)20-9-3-2-4-10-20;1-30-12-13-5-4-8-19-20(13)27-23(26-19)21-16-9-14(10-25-22(16)29-28-21)17-11-24-18-7-3-2-6-15(17)18;1-30-11-12-4-2-6-17-18(12)27-22(26-17)19-15-8-13(9-24-21(15)29-28-19)16-10-25-20-14(16)5-3-7-23-20;1-30-11-13-3-2-4-17-18(13)25-21(24-17)19-16-9-14(10-23-20(16)27-26-19)12-5-7-15(8-6-12)31(22,28)29/h2-16H,17H2,1H3,(H,31,32)(H,30,33,34);2-11,24H,12H2,1H3,(H,26,27)(H,25,28,29);2-10H,11H2,1H3,(H,23,25)(H,26,27)(H,24,28,29);2-10H,11H2,1H3,(H,24,25)(H2,22,28,29)(H,23,26,27)
InChIKeyBVHVJEKIAPKYKS-UHFFFAOYSA-N
XLogP17.46
TPSA461.62 Ų
H-Bond Donors11
H-Bond Acceptors22
Rotatable Bonds19
Heavy Atoms130
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001758.95
LogP ≤ 517.46
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1022

Analyze 5-[1-(benzenesulfonyl)indol-3-yl]-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(benzenesulfonyl)indol-3-yl]-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine?
The IUPAC name of 5-[1-(benzenesulfonyl)indol-3-yl]-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine (CID 157473514) is 5-[1-(benzenesulfonyl)indol-3-yl]-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine.
What is the SMILES notation for 5-[1-(benzenesulfonyl)indol-3-yl]-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine?
The canonical SMILES for 5-[1-(benzenesulfonyl)indol-3-yl]-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine is COCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5c[nH]c6ccccc56)cc34)nc12.COCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5c[nH]c6ncccc56)cc34)nc12.COCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5ccc(S(N)(=O)=O)cc5)cc34)nc12.COCc1cccc2[nH]c(-c3[nH]nc4ncc(-c5cn(S(=O)(=O)c6ccccc6)c6ccccc56)cc34)nc12.
What is the InChIKey of 5-[1-(benzenesulfonyl)indol-3-yl]-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine?
The InChIKey is BVHVJEKIAPKYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22N6O3S.C23H18N6O.C22H17N7O.C21H18N6O3S/c1-38-17-18-8-7-12-24-26(18)32-29(31-24)27-22-14-19(15-30-28(22)34-33-27)23-16-35(25-13-6-5-11-21(23)25)39(36,37)20-9-3-2-4-10-20;1-30-12-13-5-4-8-19-20(13)27-23(26-19)21-16-9-14(10-25-22(16)29-28-21)17-11-24-18-7-3-2-6-15(17)18;1-30-11-12-4-2-6-17-18(12)27-22(26-17)19-15-8-13(9-24-21(15)29-28-19)16-10-25-20-14(16)5-3-7-23-20;1-30-11-13-3-2-4-17-18(13)25-21(24-17)19-16-9-14(10-23-20(16)27-26-19)12-5-7-15(8-6-12)31(22,28)29/h2-16H,17H2,1H3,(H,31,32)(H,30,33,34);2-11,24H,12H2,1H3,(H,26,27)(H,25,28,29);2-10H,11H2,1H3,(H,23,25)(H,26,27)(H,24,28,29);2-10H,11H2,1H3,(H,24,25)(H2,22,28,29)(H,23,26,27).
What are the key properties of 5-[1-(benzenesulfonyl)indol-3-yl]-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine?
5-[1-(benzenesulfonyl)indol-3-yl]-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 1758.95 g/mol, XLogP of 17.46, 19 rotatable bonds, 11 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(benzenesulfonyl)indol-3-yl]-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;5-(1H-indol-3-yl)-3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridine;4-[3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]benzenesulfonamide;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 157473514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).