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

C22H14FN7 — CID 137038177

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

3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137038177) has the molecular formula C22H14FN7 and a molecular weight of 395.40 g/mol. Its IUPAC name is 3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137038177
• Molecular Formula: C22H14FN7
• Molecular Weight: 395.40 g/mol
• Exact Mass: 395.13
• IUPAC Name: 3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine
• SMILES: Fc1ccc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)nc45)cc23)cc1
• InChI: InChI=1S/C22H14FN7/c23-14-3-1-12(2-4-14)15-7-8-24-22-16(15)9-19(28-22)21-20-18(29-30-21)6-5-17(27-20)13-10-25-26-11-13/h1-11H,(H,24,28)(H,25,26)(H,29,30)
• InChIKey: HEWPIVKISPURCK-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 98.93 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	395.40
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine (CID 137038177) is 3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine is Fc1ccc(-c2ccnc3[nH]c(-c4n[nH]c5ccc(-c6cn[nH]c6)nc45)cc23)cc1.

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

The InChIKey is HEWPIVKISPURCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14FN7/c23-14-3-1-12(2-4-14)15-7-8-24-22-16(15)9-19(28-22)21-20-18(29-30-21)6-5-17(27-20)13-10-25-26-11-13/h1-11H,(H,24,28)(H,25,26)(H,29,30).

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

3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 395.40 g/mol, XLogP of 4.70, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(4-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137038177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).