3-[6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1H-pyrazolo[4,3-b]pyridine

C25H26N8 — CID 59645757

About 3-[6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1H-pyrazolo[4,3-b]pyridine

3-[6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (PubChem CID 59645757) has the molecular formula C25H26N8 and a molecular weight of 438.54 g/mol. Its IUPAC name is 3-[6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 59645757
• Molecular Formula: C25H26N8
• Molecular Weight: 438.54 g/mol
• Exact Mass: 438.23
• IUPAC Name: 3-[6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1H-pyrazolo[4,3-b]pyridine
• SMILES: CC(C)(C)c1ncn(-c2cccc(C(C)(C)c3cccc(-c4n[nH]c5cccnc45)n3)n2)n1
• InChI: InChI=1S/C25H26N8/c1-24(2,3)23-27-15-33(32-23)20-13-7-12-19(29-20)25(4,5)18-11-6-9-16(28-18)22-21-17(30-31-22)10-8-14-26-21/h6-15H,1-5H3,(H,30,31)
• InChIKey: OMFTZPMKOQPIRH-UHFFFAOYSA-N
• XLogP: 4.62
• TPSA: 98.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.54
LogP ≤ 5	4.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?

The IUPAC name of 3-[6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1H-pyrazolo[4,3-b]pyridine (CID 59645757) is 3-[6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1H-pyrazolo[4,3-b]pyridine.

What is the SMILES notation for 3-[6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?

The canonical SMILES for 3-[6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is CC(C)(C)c1ncn(-c2cccc(C(C)(C)c3cccc(-c4n[nH]c5cccnc45)n3)n2)n1.

What is the InChIKey of 3-[6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?

The InChIKey is OMFTZPMKOQPIRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8/c1-24(2,3)23-27-15-33(32-23)20-13-7-12-19(29-20)25(4,5)18-11-6-9-16(28-18)22-21-17(30-31-22)10-8-14-26-21/h6-15H,1-5H3,(H,30,31).

What are the key properties of 3-[6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1H-pyrazolo[4,3-b]pyridine?

3-[6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 438.54 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[6-[2-[6-(3-tert-butyl-1,2,4-triazol-1-yl)-2-pyridinyl]propan-2-yl]-2-pyridinyl]-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 59645757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).