2-(6-fluoro-2-pyridinyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole

C21H17FN8O — CID 169166091

About 2-(6-fluoro-2-pyridinyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole

2-(6-fluoro-2-pyridinyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole (PubChem CID 169166091) has the molecular formula C21H17FN8O and a molecular weight of 416.42 g/mol. Its IUPAC name is 2-(6-fluoro-2-pyridinyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(6-fluoro-2-pyridinyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
• PubChem CID: 169166091
• Molecular Formula: C21H17FN8O
• Molecular Weight: 416.42 g/mol
• Exact Mass: 416.15
• IUPAC Name: 2-(6-fluoro-2-pyridinyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole
• SMILES: Cc1cccn2nc([C@H]3c4nc[nH]c4CCN3c3nnc(-c4cccc(F)n4)o3)cc12
• InChI: InChI=1S/C21H17FN8O/c1-12-4-3-8-30-16(12)10-15(28-30)19-18-13(23-11-24-18)7-9-29(19)21-27-26-20(31-21)14-5-2-6-17(22)25-14/h2-6,8,10-11,19H,7,9H2,1H3,(H,23,24)/t19-/m0/s1
• InChIKey: FKRHDGFXYFAMNY-IBGZPJMESA-N
• XLogP: 3.10
• TPSA: 101.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.42
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2-pyridinyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?

The IUPAC name of 2-(6-fluoro-2-pyridinyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole (CID 169166091) is 2-(6-fluoro-2-pyridinyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-(6-fluoro-2-pyridinyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?

The canonical SMILES for 2-(6-fluoro-2-pyridinyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole is Cc1cccn2nc([C@H]3c4nc[nH]c4CCN3c3nnc(-c4cccc(F)n4)o3)cc12.

What is the InChIKey of 2-(6-fluoro-2-pyridinyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?

The InChIKey is FKRHDGFXYFAMNY-IBGZPJMESA-N. The full InChI is InChI=1S/C21H17FN8O/c1-12-4-3-8-30-16(12)10-15(28-30)19-18-13(23-11-24-18)7-9-29(19)21-27-26-20(31-21)14-5-2-6-17(22)25-14/h2-6,8,10-11,19H,7,9H2,1H3,(H,23,24)/t19-/m0/s1.

What are the key properties of 2-(6-fluoro-2-pyridinyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole?

2-(6-fluoro-2-pyridinyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole has a molecular weight of 416.42 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-fluoro-2-pyridinyl)-5-[(4R)-4-(4-methylpyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 169166091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).