[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone

C26H23FN6O4 — CID 154679560

About [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone

[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone (PubChem CID 154679560) has the molecular formula C26H23FN6O4 and a molecular weight of 502.51 g/mol. Its IUPAC name is [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone.

Molecular Properties

• Compound Name: [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
• PubChem CID: 154679560
• Molecular Formula: C26H23FN6O4
• Molecular Weight: 502.51 g/mol
• Exact Mass: 502.18
• IUPAC Name: [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone
• SMILES: COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5Cc6cnn(C)c6C5)cc4)no3)c2cc1F
• InChI: InChI=1S/C26H23FN6O4/c1-32-22-14-33(13-17(22)12-28-32)26(34)16-5-3-15(4-6-16)20-10-24(37-31-20)25-18-9-19(27)23(36-8-7-35-2)11-21(18)29-30-25/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,29,30)
• InChIKey: ZGVHMSZOPJUKKK-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 111.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.51
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?

The IUPAC name of [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone (CID 154679560) is [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone.

What is the SMILES notation for [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?

The canonical SMILES for [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone is COCCOc1cc2[nH]nc(-c3cc(-c4ccc(C(=O)N5Cc6cnn(C)c6C5)cc4)no3)c2cc1F.

What is the InChIKey of [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?

The InChIKey is ZGVHMSZOPJUKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23FN6O4/c1-32-22-14-33(13-17(22)12-28-32)26(34)16-5-3-15(4-6-16)20-10-24(37-31-20)25-18-9-19(27)23(36-8-7-35-2)11-21(18)29-30-25/h3-6,9-12H,7-8,13-14H2,1-2H3,(H,29,30).

What are the key properties of [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone?

[4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone has a molecular weight of 502.51 g/mol, XLogP of 3.94, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[5-[5-fluoro-6-(2-methoxyethoxy)-1H-indazol-3-yl]-1,2-oxazol-3-yl]phenyl]-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)methanone is sourced from PubChem (CID 154679560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).