N-[[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;N-[[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;1-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylmethanamine;3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

C127H126F4N38O4S2 — CID 158820067

About N-[[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;N-[[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;1-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylmethanamine;3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine

N-[[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;N-[[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;1-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylmethanamine;3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (PubChem CID 158820067) has the molecular formula C127H126F4N38O4S2 and a molecular weight of 2388.79 g/mol. Its IUPAC name is N-[[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;N-[[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;1-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylmethanamine;3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: N-[[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;N-[[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;1-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylmethanamine;3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 158820067
• Molecular Formula: C127H126F4N38O4S2
• Molecular Weight: 2388.79 g/mol
• Exact Mass: 2387.02
• IUPAC Name: N-[[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;N-[[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;1-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylmethanamine;3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine
• SMILES: CN(C)Cc1cc(F)cc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)c1.CN1CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7cc(F)cc(CNS(C)(=O)=O)c7)cncc6[nH]5)c4c3)c2)CC1.CS(=O)(=O)NCc1cc(F)cc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCNCC7)c6)cc45)nc23)c1.Fc1cc(CN2CCCC2)cc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)c1
• InChI: InChI=1S/C34H34FN9.C32H32FN9.C31H31FN10O2S.C30H29FN10O2S/c35-27-12-22(20-43-8-4-5-9-43)10-24(13-27)29-18-37-19-30-31(29)40-34(39-30)32-28-14-26(17-38-33(28)42-41-32)25-11-23(15-36-16-25)21-44-6-2-1-3-7-44;1-41(2)18-20-8-22(11-25(33)10-20)27-16-35-17-28-29(27)38-32(37-28)30-26-12-24(15-36-31(26)40-39-30)23-9-21(13-34-14-23)19-42-6-4-3-5-7-42;1-41-3-5-42(6-4-41)18-20-8-22(14-33-12-20)23-11-25-29(39-40-30(25)35-15-23)31-37-27-17-34-16-26(28(27)38-31)21-7-19(9-24(32)10-21)13-36-45(2,43)44;1-44(42,43)36-12-18-6-20(9-23(31)8-18)25-15-34-16-26-27(25)38-30(37-26)28-24-10-22(14-35-29(24)40-39-28)21-7-19(11-33-13-21)17-41-4-2-32-3-5-41/h10-19H,1-9,20-21H2,(H,39,40)(H,38,41,42);8-17H,3-7,18-19H2,1-2H3,(H,37,38)(H,36,39,40);7-12,14-17,36H,3-6,13,18H2,1-2H3,(H,37,38)(H,35,39,40);6-11,13-16,32,36H,2-5,12,17H2,1H3,(H,37,38)(H,35,39,40)
• InChIKey: IVTGCESANDMAPB-UHFFFAOYSA-N
• XLogP: 18.94
• TPSA: 511.17 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 32
• Rotatable Bonds: 30
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2388.79
LogP ≤ 5	18.94
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;N-[[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;1-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylmethanamine;3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?

The IUPAC name of N-[[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;N-[[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;1-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylmethanamine;3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine (CID 158820067) is N-[[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;N-[[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;1-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylmethanamine;3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine.

What is the SMILES notation for N-[[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;N-[[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;1-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylmethanamine;3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?

The canonical SMILES for N-[[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;N-[[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;1-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylmethanamine;3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is CN(C)Cc1cc(F)cc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)c1.CN1CCN(Cc2cncc(-c3cnc4n[nH]c(-c5nc6c(-c7cc(F)cc(CNS(C)(=O)=O)c7)cncc6[nH]5)c4c3)c2)CC1.CS(=O)(=O)NCc1cc(F)cc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCNCC7)c6)cc45)nc23)c1.Fc1cc(CN2CCCC2)cc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cncc(CN7CCCCC7)c6)cc45)nc23)c1.

What is the InChIKey of N-[[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;N-[[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;1-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylmethanamine;3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?

The InChIKey is IVTGCESANDMAPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H34FN9.C32H32FN9.C31H31FN10O2S.C30H29FN10O2S/c35-27-12-22(20-43-8-4-5-9-43)10-24(13-27)29-18-37-19-30-31(29)40-34(39-30)32-28-14-26(17-38-33(28)42-41-32)25-11-23(15-36-16-25)21-44-6-2-1-3-7-44;1-41(2)18-20-8-22(11-25(33)10-20)27-16-35-17-28-29(27)38-32(37-28)30-26-12-24(15-36-31(26)40-39-30)23-9-21(13-34-14-23)19-42-6-4-3-5-7-42;1-41-3-5-42(6-4-41)18-20-8-22(14-33-12-20)23-11-25-29(39-40-30(25)35-15-23)31-37-27-17-34-16-26(28(27)38-31)21-7-19(9-24(32)10-21)13-36-45(2,43)44;1-44(42,43)36-12-18-6-20(9-23(31)8-18)25-15-34-16-26-27(25)38-30(37-26)28-24-10-22(14-35-29(24)40-39-28)21-7-19(11-33-13-21)17-41-4-2-32-3-5-41/h10-19H,1-9,20-21H2,(H,39,40)(H,38,41,42);8-17H,3-7,18-19H2,1-2H3,(H,37,38)(H,36,39,40);7-12,14-17,36H,3-6,13,18H2,1-2H3,(H,37,38)(H,35,39,40);6-11,13-16,32,36H,2-5,12,17H2,1H3,(H,37,38)(H,35,39,40).

What are the key properties of N-[[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;N-[[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;1-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylmethanamine;3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine?

N-[[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;N-[[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;1-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylmethanamine;3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 2388.79 g/mol, XLogP of 18.94, 30 rotatable bonds, 11 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-fluoro-5-[2-[5-[5-[(4-methylpiperazin-1-yl)methyl]-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;N-[[3-fluoro-5-[2-[5-[5-(piperazin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]methanesulfonamide;1-[3-fluoro-5-[2-[5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]-N,N-dimethylmethanamine;3-[7-[3-fluoro-5-(pyrrolidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 158820067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).