2-(4-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine

C22H13FN6S — CID 137135417

About 2-(4-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine

2-(4-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine (PubChem CID 137135417) has the molecular formula C22H13FN6S and a molecular weight of 412.45 g/mol. Its IUPAC name is 2-(4-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

• Compound Name: 2-(4-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
• PubChem CID: 137135417
• Molecular Formula: C22H13FN6S
• Molecular Weight: 412.45 g/mol
• Exact Mass: 412.09
• IUPAC Name: 2-(4-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine
• SMILES: Fc1c(-c2cccnc2)ccc2[nH]nc(-c3nc4nccc(-c5cccs5)c4[nH]3)c12
• InChI: InChI=1S/C22H13FN6S/c23-18-13(12-3-1-8-24-11-12)5-6-15-17(18)20(29-28-15)22-26-19-14(16-4-2-10-30-16)7-9-25-21(19)27-22/h1-11H,(H,28,29)(H,25,26,27)
• InChIKey: QHASBRMGUDVZQM-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 83.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	412.45
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?

The IUPAC name of 2-(4-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine (CID 137135417) is 2-(4-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine.

What is the SMILES notation for 2-(4-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?

The canonical SMILES for 2-(4-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine is Fc1c(-c2cccnc2)ccc2[nH]nc(-c3nc4nccc(-c5cccs5)c4[nH]3)c12.

What is the InChIKey of 2-(4-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?

The InChIKey is QHASBRMGUDVZQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13FN6S/c23-18-13(12-3-1-8-24-11-12)5-6-15-17(18)20(29-28-15)22-26-19-14(16-4-2-10-30-16)7-9-25-21(19)27-22/h1-11H,(H,28,29)(H,25,26,27).

What are the key properties of 2-(4-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine?

2-(4-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine has a molecular weight of 412.45 g/mol, XLogP of 5.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluoro-5-pyridin-3-yl-1H-indazol-3-yl)-7-thiophen-2-yl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 137135417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).