3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine

C23H14FN5S — CID 137041237

About 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine

3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137041237) has the molecular formula C23H14FN5S and a molecular weight of 411.47 g/mol. Its IUPAC name is 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 137041237
• Molecular Formula: C23H14FN5S
• Molecular Weight: 411.47 g/mol
• Exact Mass: 411.10
• IUPAC Name: 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine
• SMILES: Fc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6ccncc6)cc45)cc23)s1
• InChI: InChI=1S/C23H14FN5S/c24-21-5-4-20(30-21)15-2-1-3-18-16(15)11-19(27-18)22-17-10-14(12-26-23(17)29-28-22)13-6-8-25-9-7-13/h1-12,27H,(H,26,28,29)
• InChIKey: JCRJZHWETHLINN-UHFFFAOYSA-N
• XLogP: 6.04
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	411.47
LogP ≤ 5	6.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine (CID 137041237) is 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine.

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

The canonical SMILES for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine is Fc1ccc(-c2cccc3[nH]c(-c4[nH]nc5ncc(-c6ccncc6)cc45)cc23)s1.

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

The InChIKey is JCRJZHWETHLINN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN5S/c24-21-5-4-20(30-21)15-2-1-3-18-16(15)11-19(27-18)22-17-10-14(12-26-23(17)29-28-22)13-6-8-25-9-7-13/h1-12,27H,(H,26,28,29).

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

3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 411.47 g/mol, XLogP of 6.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(5-fluorothiophen-2-yl)-1H-indol-2-yl]-5-pyridin-4-yl-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137041237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).