2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazine

C24H14F7N5 — CID 135227336

About 2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazine

2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazine (PubChem CID 135227336) has the molecular formula C24H14F7N5 and a molecular weight of 505.40 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazine.

Molecular Properties

• Compound Name: 2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazine
• PubChem CID: 135227336
• Molecular Formula: C24H14F7N5
• Molecular Weight: 505.40 g/mol
• Exact Mass: 505.11
• IUPAC Name: 2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazine
• SMILES: Fc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C4CC4)nc3cn2)cc1C(F)(F)C(F)(F)F
• InChI: InChI=1S/C24H14F7N5/c25-16-5-3-12(7-15(16)23(27,28)24(29,30)31)18-10-36-19(9-32-18)34-21(11-1-2-11)22(36)13-4-6-17-14(20(13)26)8-33-35-17/h3-11H,1-2H2,(H,33,35)
• InChIKey: KVMLTTOKRSTSEF-UHFFFAOYSA-N
• XLogP: 6.75
• TPSA: 58.87 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.40
LogP ≤ 5	6.75
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazine?

The IUPAC name of 2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazine (CID 135227336) is 2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazine.

What is the SMILES notation for 2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazine?

The canonical SMILES for 2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazine is Fc1ccc(-c2cn3c(-c4ccc5[nH]ncc5c4F)c(C4CC4)nc3cn2)cc1C(F)(F)C(F)(F)F.

What is the InChIKey of 2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazine?

The InChIKey is KVMLTTOKRSTSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14F7N5/c25-16-5-3-12(7-15(16)23(27,28)24(29,30)31)18-10-36-19(9-32-18)34-21(11-1-2-11)22(36)13-4-6-17-14(20(13)26)8-33-35-17/h3-11H,1-2H2,(H,33,35).

What are the key properties of 2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazine?

2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazine has a molecular weight of 505.40 g/mol, XLogP of 6.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-cyclopropyl-3-(4-fluoro-1H-indazol-5-yl)-6-[4-fluoro-3-(1,1,2,2,2-pentafluoroethyl)phenyl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 135227336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).