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

C20H14F2N8O — CID 176928518

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

2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-fluoro-3-pyridinyl)-1,3,4-oxadiazole (PubChem CID 176928518) has the molecular formula C20H14F2N8O and a molecular weight of 420.38 g/mol. Its IUPAC name is 2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-fluoro-3-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-fluoro-3-pyridinyl)-1,3,4-oxadiazole
• PubChem CID: 176928518
• Molecular Formula: C20H14F2N8O
• Molecular Weight: 420.38 g/mol
• Exact Mass: 420.13
• IUPAC Name: 2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-fluoro-3-pyridinyl)-1,3,4-oxadiazole
• SMILES: Fc1ncccc1-c1nnc(N2CCc3[nH]cnc3[C@H]2c2cc3c(F)cccn3n2)o1
• InChI: InChI=1S/C20H14F2N8O/c21-12-4-2-7-30-15(12)9-14(28-30)17-16-13(24-10-25-16)5-8-29(17)20-27-26-19(31-20)11-3-1-6-23-18(11)22/h1-4,6-7,9-10,17H,5,8H2,(H,24,25)/t17-/m1/s1
• InChIKey: CQGGNOHCDYLVAN-QGZVFWFLSA-N
• XLogP: 2.93
• 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	420.38
LogP ≤ 5	2.93
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-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-fluoro-3-pyridinyl)-1,3,4-oxadiazole?

The IUPAC name of 2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-fluoro-3-pyridinyl)-1,3,4-oxadiazole (CID 176928518) is 2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-fluoro-3-pyridinyl)-1,3,4-oxadiazole.

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

The canonical SMILES for 2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-fluoro-3-pyridinyl)-1,3,4-oxadiazole is Fc1ncccc1-c1nnc(N2CCc3[nH]cnc3[C@H]2c2cc3c(F)cccn3n2)o1.

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

The InChIKey is CQGGNOHCDYLVAN-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H14F2N8O/c21-12-4-2-7-30-15(12)9-14(28-30)17-16-13(24-10-25-16)5-8-29(17)20-27-26-19(31-20)11-3-1-6-23-18(11)22/h1-4,6-7,9-10,17H,5,8H2,(H,24,25)/t17-/m1/s1.

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

2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-fluoro-3-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 420.38 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4S)-4-(4-fluoropyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-5-(2-fluoro-3-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 176928518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).