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

C21H14N8 — CID 137038800

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

5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (PubChem CID 137038800) has the molecular formula C21H14N8 and a molecular weight of 378.40 g/mol. Its IUPAC name is 5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.

Molecular Properties

• Compound Name: 5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
• PubChem CID: 137038800
• Molecular Formula: C21H14N8
• Molecular Weight: 378.40 g/mol
• Exact Mass: 378.13
• IUPAC Name: 5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine
• SMILES: c1cc(-c2ccnc3[nH]c(-c4[nH]nc5ncc(-c6cn[nH]c6)cc45)cc23)ccn1
• InChI: InChI=1S/C21H14N8/c1-4-22-5-2-12(1)15-3-6-23-20-16(15)8-18(27-20)19-17-7-13(14-10-25-26-11-14)9-24-21(17)29-28-19/h1-11H,(H,23,27)(H,25,26)(H,24,28,29)
• InChIKey: VZHKSHLYGMYGDT-UHFFFAOYSA-N
• XLogP: 3.95
• TPSA: 111.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.40
LogP ≤ 5	3.95
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine (CID 137038800) is 5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine.

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

The canonical SMILES for 5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is c1cc(-c2ccnc3[nH]c(-c4[nH]nc5ncc(-c6cn[nH]c6)cc45)cc23)ccn1.

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

The InChIKey is VZHKSHLYGMYGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N8/c1-4-22-5-2-12(1)15-3-6-23-20-16(15)8-18(27-20)19-17-7-13(14-10-25-26-11-14)9-24-21(17)29-28-19/h1-11H,(H,23,27)(H,25,26)(H,24,28,29).

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

5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine has a molecular weight of 378.40 g/mol, XLogP of 3.95, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(1H-pyrazol-4-yl)-3-(4-pyridin-4-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-2H-pyrazolo[3,4-b]pyridine is sourced from PubChem (CID 137038800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).