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

C114H98F4N34O — CID 158026276

IUPAC3-[7-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperazin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[[3-fluoro-5-[2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]morpholine
SMILESCN1CCN(Cc2cc(F)cc(-c3cncc4[nH]c(-c5[nH]nc6ncc(-c7cccnc7)cc56)nc34)c2)CC1.Fc1cc(CN2CCCCC2)cc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cccnc6)cc45)nc23)c1.Fc1cc(CN2CCNCC2)cc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cccnc6)cc45)nc23)c1.Fc1cc(CN2CCOCC2)cc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cccnc6)cc45)nc23)c1
InChIInChI=1S/C29H26FN9.C29H25FN8.C28H24FN9.C28H23FN8O/c1-38-5-7-39(8-6-38)17-18-9-20(11-22(30)10-18)24-15-32-16-25-26(24)35-29(34-25)27-23-12-21(14-33-28(23)37-36-27)19-3-2-4-31-13-19;30-22-10-18(17-38-7-2-1-3-8-38)9-20(11-22)24-15-32-16-25-26(24)35-29(34-25)27-23-12-21(14-33-28(23)37-36-27)19-5-4-6-31-13-19;29-21-9-17(16-38-6-4-30-5-7-38)8-19(10-21)23-14-32-15-24-25(23)35-28(34-24)26-22-11-20(13-33-27(22)37-36-26)18-2-1-3-31-12-18;29-21-9-17(16-37-4-6-38-7-5-37)8-19(10-21)23-14-31-15-24-25(23)34-28(33-24)26-22-11-20(13-32-27(22)36-35-26)18-2-1-3-30-12-18/h2-4,9-16H,5-8,17H2,1H3,(H,34,35)(H,33,36,37);4-6,9-16H,1-3,7-8,17H2,(H,34,35)(H,33,36,37);1-3,8-15,30H,4-7,16H2,(H,34,35)(H,33,36,37);1-3,8-15H,4-7,16H2,(H,33,34)(H,32,35,36)
InChIKeyFGQKJSOFNDWEBA-UHFFFAOYSA-N
MW2036.27 g/mol
LogP19.03
Rot. Bonds20

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

3-[7-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperazin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[[3-fluoro-5-[2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]morpholine (PubChem CID 158026276) has the molecular formula C114H98F4N34O and a molecular weight of 2036.27 g/mol. Its IUPAC name is 3-[7-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperazin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[[3-fluoro-5-[2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name3-[7-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperazin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[[3-fluoro-5-[2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]morpholine
PubChem CID158026276
Molecular FormulaC114H98F4N34O
Molecular Weight2036.27 g/mol
Exact Mass2034.86
IUPAC Name3-[7-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperazin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[[3-fluoro-5-[2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]morpholine
SMILESCN1CCN(Cc2cc(F)cc(-c3cncc4[nH]c(-c5[nH]nc6ncc(-c7cccnc7)cc56)nc34)c2)CC1.Fc1cc(CN2CCCCC2)cc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cccnc6)cc45)nc23)c1.Fc1cc(CN2CCNCC2)cc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cccnc6)cc45)nc23)c1.Fc1cc(CN2CCOCC2)cc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cccnc6)cc45)nc23)c1
InChIInChI=1S/C29H26FN9.C29H25FN8.C28H24FN9.C28H23FN8O/c1-38-5-7-39(8-6-38)17-18-9-20(11-22(30)10-18)24-15-32-16-25-26(24)35-29(34-25)27-23-12-21(14-33-28(23)37-36-27)19-3-2-4-31-13-19;30-22-10-18(17-38-7-2-1-3-8-38)9-20(11-22)24-15-32-16-25-26(24)35-29(34-25)27-23-12-21(14-33-28(23)37-36-27)19-5-4-6-31-13-19;29-21-9-17(16-38-6-4-30-5-7-38)8-19(10-21)23-14-32-15-24-25(23)35-28(34-24)26-22-11-20(13-33-27(22)37-36-26)18-2-1-3-31-12-18;29-21-9-17(16-37-4-6-38-7-5-37)8-19(10-21)23-14-31-15-24-25(23)34-28(33-24)26-22-11-20(13-32-27(22)36-35-26)18-2-1-3-30-12-18/h2-4,9-16H,5-8,17H2,1H3,(H,34,35)(H,33,36,37);4-6,9-16H,1-3,7-8,17H2,(H,34,35)(H,33,36,37);1-3,8-15,30H,4-7,16H2,(H,34,35)(H,33,36,37);1-3,8-15H,4-7,16H2,(H,33,34)(H,32,35,36)
InChIKeyFGQKJSOFNDWEBA-UHFFFAOYSA-N
XLogP19.03
TPSA421.58 Ų
H-Bond Donors9
H-Bond Acceptors27
Rotatable Bonds20
Heavy Atoms153
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002036.27
LogP ≤ 519.03
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1027

Analyze 3-[7-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperazin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[[3-fluoro-5-[2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[7-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperazin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[[3-fluoro-5-[2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]morpholine?
The IUPAC name of 3-[7-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperazin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[[3-fluoro-5-[2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]morpholine (CID 158026276) is 3-[7-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperazin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[[3-fluoro-5-[2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 3-[7-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperazin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[[3-fluoro-5-[2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]morpholine?
The canonical SMILES for 3-[7-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperazin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[[3-fluoro-5-[2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]morpholine is CN1CCN(Cc2cc(F)cc(-c3cncc4[nH]c(-c5[nH]nc6ncc(-c7cccnc7)cc56)nc34)c2)CC1.Fc1cc(CN2CCCCC2)cc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cccnc6)cc45)nc23)c1.Fc1cc(CN2CCNCC2)cc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cccnc6)cc45)nc23)c1.Fc1cc(CN2CCOCC2)cc(-c2cncc3[nH]c(-c4[nH]nc5ncc(-c6cccnc6)cc45)nc23)c1.
What is the InChIKey of 3-[7-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperazin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[[3-fluoro-5-[2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]morpholine?
The InChIKey is FGQKJSOFNDWEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN9.C29H25FN8.C28H24FN9.C28H23FN8O/c1-38-5-7-39(8-6-38)17-18-9-20(11-22(30)10-18)24-15-32-16-25-26(24)35-29(34-25)27-23-12-21(14-33-28(23)37-36-27)19-3-2-4-31-13-19;30-22-10-18(17-38-7-2-1-3-8-38)9-20(11-22)24-15-32-16-25-26(24)35-29(34-25)27-23-12-21(14-33-28(23)37-36-27)19-5-4-6-31-13-19;29-21-9-17(16-38-6-4-30-5-7-38)8-19(10-21)23-14-32-15-24-25(23)35-28(34-24)26-22-11-20(13-33-27(22)37-36-26)18-2-1-3-31-12-18;29-21-9-17(16-37-4-6-38-7-5-37)8-19(10-21)23-14-31-15-24-25(23)34-28(33-24)26-22-11-20(13-32-27(22)36-35-26)18-2-1-3-30-12-18/h2-4,9-16H,5-8,17H2,1H3,(H,34,35)(H,33,36,37);4-6,9-16H,1-3,7-8,17H2,(H,34,35)(H,33,36,37);1-3,8-15,30H,4-7,16H2,(H,34,35)(H,33,36,37);1-3,8-15H,4-7,16H2,(H,33,34)(H,32,35,36).
What are the key properties of 3-[7-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperazin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[[3-fluoro-5-[2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]morpholine?
3-[7-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperazin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[[3-fluoro-5-[2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]morpholine has a molecular weight of 2036.27 g/mol, XLogP of 19.03, 20 rotatable bonds, 9 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-[3-fluoro-5-[(4-methylpiperazin-1-yl)methyl]phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperazin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;3-[7-[3-fluoro-5-(piperidin-1-ylmethyl)phenyl]-3H-imidazo[4,5-c]pyridin-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;4-[[3-fluoro-5-[2-(5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-3H-imidazo[4,5-c]pyridin-7-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 158026276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).