[(4S)-4-(7-iodopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone

C20H14IN9O2 — CID 170389332

About [(4S)-4-(7-iodopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone

[(4S)-4-(7-iodopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone (PubChem CID 170389332) has the molecular formula C20H14IN9O2 and a molecular weight of 539.30 g/mol. Its IUPAC name is [(4S)-4-(7-iodopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone.

Molecular Properties

• Compound Name: [(4S)-4-(7-iodopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone
• PubChem CID: 170389332
• Molecular Formula: C20H14IN9O2
• Molecular Weight: 539.30 g/mol
• Exact Mass: 539.03
• IUPAC Name: [(4S)-4-(7-iodopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone
• SMILES: O=C(c1nnc(-c2cnccn2)o1)N1CCc2[nH]cnc2[C@H]1c1cc2cccc(I)n2n1
• InChI: InChI=1S/C20H14IN9O2/c21-15-3-1-2-11-8-13(28-30(11)15)17-16-12(24-10-25-16)4-7-29(17)20(31)19-27-26-18(32-19)14-9-22-5-6-23-14/h1-3,5-6,8-10,17H,4,7H2,(H,24,25)/t17-/m1/s1
• InChIKey: SPLQBFDGXDIQMO-QGZVFWFLSA-N
• XLogP: 2.29
• TPSA: 130.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 3
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	539.30
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [(4S)-4-(7-iodopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone?

The IUPAC name of [(4S)-4-(7-iodopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone (CID 170389332) is [(4S)-4-(7-iodopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone.

What is the SMILES notation for [(4S)-4-(7-iodopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone?

The canonical SMILES for [(4S)-4-(7-iodopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone is O=C(c1nnc(-c2cnccn2)o1)N1CCc2[nH]cnc2[C@H]1c1cc2cccc(I)n2n1.

What is the InChIKey of [(4S)-4-(7-iodopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone?

The InChIKey is SPLQBFDGXDIQMO-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H14IN9O2/c21-15-3-1-2-11-8-13(28-30(11)15)17-16-12(24-10-25-16)4-7-29(17)20(31)19-27-26-18(32-19)14-9-22-5-6-23-14/h1-3,5-6,8-10,17H,4,7H2,(H,24,25)/t17-/m1/s1.

What are the key properties of [(4S)-4-(7-iodopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone?

[(4S)-4-(7-iodopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone has a molecular weight of 539.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [(4S)-4-(7-iodopyrazolo[1,5-a]pyridin-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)methanone is sourced from PubChem (CID 170389332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).