3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole

C23H15FN6 — CID 137112165

About 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole

3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole (PubChem CID 137112165) has the molecular formula C23H15FN6 and a molecular weight of 394.41 g/mol. Its IUPAC name is 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole.

Molecular Properties

• Compound Name: 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole
• PubChem CID: 137112165
• Molecular Formula: C23H15FN6
• Molecular Weight: 394.41 g/mol
• Exact Mass: 394.13
• IUPAC Name: 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole
• SMILES: Fc1ccccc1-c1ccnc2[nH]c(-c3n[nH]c4ccc(-c5cn[nH]c5)cc34)cc12
• InChI: InChI=1S/C23H15FN6/c24-19-4-2-1-3-16(19)15-7-8-25-23-17(15)10-21(28-23)22-18-9-13(14-11-26-27-12-14)5-6-20(18)29-30-22/h1-12H,(H,25,28)(H,26,27)(H,29,30)
• InChIKey: QFNKSYHTACJUQO-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 86.04 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	394.41
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole?

The IUPAC name of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole (CID 137112165) is 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole.

What is the SMILES notation for 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole?

The canonical SMILES for 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole is Fc1ccccc1-c1ccnc2[nH]c(-c3n[nH]c4ccc(-c5cn[nH]c5)cc34)cc12.

What is the InChIKey of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole?

The InChIKey is QFNKSYHTACJUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN6/c24-19-4-2-1-3-16(19)15-7-8-25-23-17(15)10-21(28-23)22-18-9-13(14-11-26-27-12-14)5-6-20(18)29-30-22/h1-12H,(H,25,28)(H,26,27)(H,29,30).

What are the key properties of 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole?

3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole has a molecular weight of 394.41 g/mol, XLogP of 5.30, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-indazole is sourced from PubChem (CID 137112165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).