2-[6-[2-cyclopropyl-5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone

C34H30F2N8O2 — CID 157204258

About 2-[6-[2-cyclopropyl-5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone

2-[6-[2-cyclopropyl-5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone (PubChem CID 157204258) has the molecular formula C34H30F2N8O2 and a molecular weight of 620.66 g/mol. Its IUPAC name is 2-[6-[2-cyclopropyl-5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone.

Molecular Properties

• Compound Name: 2-[6-[2-cyclopropyl-5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone
• PubChem CID: 157204258
• Molecular Formula: C34H30F2N8O2
• Molecular Weight: 620.66 g/mol
• Exact Mass: 620.25
• IUPAC Name: 2-[6-[2-cyclopropyl-5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone
• SMILES: O=C(Cc1cn2nc(-c3c(-c4ccc(F)cc4)nc(C4CC4)n3C3CCN(Cc4ccon4)CC3)ccc2n1)c1ccnc(F)c1
• InChI: InChI=1S/C34H30F2N8O2/c35-24-5-3-21(4-6-24)32-33(28-7-8-31-38-26(20-43(31)40-28)18-29(45)23-9-13-37-30(36)17-23)44(34(39-32)22-1-2-22)27-10-14-42(15-11-27)19-25-12-16-46-41-25/h3-9,12-13,16-17,20,22,27H,1-2,10-11,14-15,18-19H2
• InChIKey: ARDVVDQTZNDTEA-UHFFFAOYSA-N
• XLogP: 6.06
• TPSA: 107.24 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.66
LogP ≤ 5	6.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-cyclopropyl-5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone?

The IUPAC name of 2-[6-[2-cyclopropyl-5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone (CID 157204258) is 2-[6-[2-cyclopropyl-5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone.

What is the SMILES notation for 2-[6-[2-cyclopropyl-5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone?

The canonical SMILES for 2-[6-[2-cyclopropyl-5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone is O=C(Cc1cn2nc(-c3c(-c4ccc(F)cc4)nc(C4CC4)n3C3CCN(Cc4ccon4)CC3)ccc2n1)c1ccnc(F)c1.

What is the InChIKey of 2-[6-[2-cyclopropyl-5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone?

The InChIKey is ARDVVDQTZNDTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H30F2N8O2/c35-24-5-3-21(4-6-24)32-33(28-7-8-31-38-26(20-43(31)40-28)18-29(45)23-9-13-37-30(36)17-23)44(34(39-32)22-1-2-22)27-10-14-42(15-11-27)19-25-12-16-46-41-25/h3-9,12-13,16-17,20,22,27H,1-2,10-11,14-15,18-19H2.

What are the key properties of 2-[6-[2-cyclopropyl-5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone?

2-[6-[2-cyclopropyl-5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone has a molecular weight of 620.66 g/mol, XLogP of 6.06, 9 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-cyclopropyl-5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]imidazo[1,2-b]pyridazin-2-yl]-1-(2-fluoro-4-pyridinyl)ethanone is sourced from PubChem (CID 157204258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).