2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine

C24H20N8S — CID 145035738

About 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine

2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine (PubChem CID 145035738) has the molecular formula C24H20N8S and a molecular weight of 452.55 g/mol. Its IUPAC name is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine
• PubChem CID: 145035738
• Molecular Formula: C24H20N8S
• Molecular Weight: 452.55 g/mol
• Exact Mass: 452.15
• IUPAC Name: 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine
• SMILES: C=C(C)c1ccc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cnc(C)n6C)cc45)[nH]c23)s1
• InChI: InChI=1S/C24H20N8S/c1-12(2)19-5-6-20(33-19)14-7-8-25-23-21(14)28-24(29-23)22-15-9-16(27-10-17(15)30-31-22)18-11-26-13(3)32(18)4/h5-11H,1H2,2-4H3,(H,30,31)(H,25,28,29)
• InChIKey: QEKOZJJOQZVZKW-UHFFFAOYSA-N
• XLogP: 5.37
• TPSA: 100.96 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.55
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine?

The IUPAC name of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine (CID 145035738) is 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine is C=C(C)c1ccc(-c2ccnc3nc(-c4n[nH]c5cnc(-c6cnc(C)n6C)cc45)[nH]c23)s1.

What is the InChIKey of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine?

The InChIKey is QEKOZJJOQZVZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N8S/c1-12(2)19-5-6-20(33-19)14-7-8-25-23-21(14)28-24(29-23)22-15-9-16(27-10-17(15)30-31-22)18-11-26-13(3)32(18)4/h5-11H,1H2,2-4H3,(H,30,31)(H,25,28,29).

What are the key properties of 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine?

2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine has a molecular weight of 452.55 g/mol, XLogP of 5.37, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[5-(2,3-dimethylimidazol-4-yl)-1H-pyrazolo[3,4-c]pyridin-3-yl]-7-(5-prop-1-en-2-ylthiophen-2-yl)-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 145035738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).