3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine

C23H15FN6OS — CID 137109512

About 3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine

3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine (PubChem CID 137109512) has the molecular formula C23H15FN6OS and a molecular weight of 442.48 g/mol. Its IUPAC name is 3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine.

Molecular Properties

• Compound Name: 3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
• PubChem CID: 137109512
• Molecular Formula: C23H15FN6OS
• Molecular Weight: 442.48 g/mol
• Exact Mass: 442.10
• IUPAC Name: 3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine
• SMILES: COc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)s6)cccc5[nH]4)c3n2)c1
• InChI: InChI=1S/C23H15FN6OS/c1-31-13-9-12(10-25-11-13)15-5-6-17-21(26-15)22(30-29-17)23-27-16-4-2-3-14(20(16)28-23)18-7-8-19(24)32-18/h2-11H,1H3,(H,27,28)(H,29,30)
• InChIKey: LMTLLPXVAGLSJE-UHFFFAOYSA-N
• XLogP: 5.44
• TPSA: 92.37 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.48
LogP ≤ 5	5.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine (CID 137109512) is 3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine.

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

The canonical SMILES for 3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine is COc1cncc(-c2ccc3[nH]nc(-c4nc5c(-c6ccc(F)s6)cccc5[nH]4)c3n2)c1.

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

The InChIKey is LMTLLPXVAGLSJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN6OS/c1-31-13-9-12(10-25-11-13)15-5-6-17-21(26-15)22(30-29-17)23-27-16-4-2-3-14(20(16)28-23)18-7-8-19(24)32-18/h2-11H,1H3,(H,27,28)(H,29,30).

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

3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine has a molecular weight of 442.48 g/mol, XLogP of 5.44, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(5-fluorothiophen-2-yl)-1H-benzimidazol-2-yl]-5-(5-methoxy-3-pyridinyl)-1H-pyrazolo[4,3-b]pyridine is sourced from PubChem (CID 137109512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).