3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine

C26H24FN5O — CID 137280718

About 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine

3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137280718) has the molecular formula C26H24FN5O and a molecular weight of 441.51 g/mol. Its IUPAC name is 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 137280718
• Molecular Formula: C26H24FN5O
• Molecular Weight: 441.51 g/mol
• Exact Mass: 441.20
• IUPAC Name: 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine
• SMILES: COc1cc(F)cc(-c2cccc3[nH]c(-c4[nH]nc5ncc(C6CCNCC6)cc45)cc23)c1
• InChI: InChI=1S/C26H24FN5O/c1-33-19-10-16(9-18(27)12-19)20-3-2-4-23-21(20)13-24(30-23)25-22-11-17(14-29-26(22)32-31-25)15-5-7-28-8-6-15/h2-4,9-15,28,30H,5-8H2,1H3,(H,29,31,32)
• InChIKey: BTXJBBXKBKMQCO-UHFFFAOYSA-N
• XLogP: 5.39
• TPSA: 78.62 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.51
LogP ≤ 5	5.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?

The IUPAC name of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine (CID 137280718) is 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine.

What is the SMILES notation for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?

The canonical SMILES for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine is COc1cc(F)cc(-c2cccc3[nH]c(-c4[nH]nc5ncc(C6CCNCC6)cc45)cc23)c1.

What is the InChIKey of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?

The InChIKey is BTXJBBXKBKMQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O/c1-33-19-10-16(9-18(27)12-19)20-3-2-4-23-21(20)13-24(30-23)25-22-11-17(14-29-26(22)32-31-25)15-5-7-28-8-6-15/h2-4,9-15,28,30H,5-8H2,1H3,(H,29,31,32).

What are the key properties of 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine?

3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 441.51 g/mol, XLogP of 5.39, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(3-fluoro-5-methoxyphenyl)-1H-indol-2-yl]-5-piperidin-4-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137280718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).