[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(3-fluorophenyl)-1H-indol-2-yl]methanone

C26H19FN6O — CID 66556590

About [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(3-fluorophenyl)-1H-indol-2-yl]methanone

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(3-fluorophenyl)-1H-indol-2-yl]methanone (PubChem CID 66556590) has the molecular formula C26H19FN6O and a molecular weight of 450.48 g/mol. Its IUPAC name is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(3-fluorophenyl)-1H-indol-2-yl]methanone.

Molecular Properties

• Compound Name: [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(3-fluorophenyl)-1H-indol-2-yl]methanone
• PubChem CID: 66556590
• Molecular Formula: C26H19FN6O
• Molecular Weight: 450.48 g/mol
• Exact Mass: 450.16
• IUPAC Name: [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(3-fluorophenyl)-1H-indol-2-yl]methanone
• SMILES: Cc1nc2ccc(-n3ncc(C(=O)c4cc5ccc(-c6cccc(F)c6)cc5[nH]4)c3N)cc2[nH]1
• InChI: InChI=1S/C26H19FN6O/c1-14-30-21-8-7-19(12-23(21)31-14)33-26(28)20(13-29-33)25(34)24-11-17-6-5-16(10-22(17)32-24)15-3-2-4-18(27)9-15/h2-13,32H,28H2,1H3,(H,30,31)
• InChIKey: CESRYOXTXZTMAG-UHFFFAOYSA-N
• XLogP: 5.16
• TPSA: 105.38 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	450.48
LogP ≤ 5	5.16
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(3-fluorophenyl)-1H-indol-2-yl]methanone?

The IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(3-fluorophenyl)-1H-indol-2-yl]methanone (CID 66556590) is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(3-fluorophenyl)-1H-indol-2-yl]methanone.

What is the SMILES notation for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(3-fluorophenyl)-1H-indol-2-yl]methanone?

The canonical SMILES for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(3-fluorophenyl)-1H-indol-2-yl]methanone is Cc1nc2ccc(-n3ncc(C(=O)c4cc5ccc(-c6cccc(F)c6)cc5[nH]4)c3N)cc2[nH]1.

What is the InChIKey of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(3-fluorophenyl)-1H-indol-2-yl]methanone?

The InChIKey is CESRYOXTXZTMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19FN6O/c1-14-30-21-8-7-19(12-23(21)31-14)33-26(28)20(13-29-33)25(34)24-11-17-6-5-16(10-22(17)32-24)15-3-2-4-18(27)9-15/h2-13,32H,28H2,1H3,(H,30,31).

What are the key properties of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(3-fluorophenyl)-1H-indol-2-yl]methanone?

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(3-fluorophenyl)-1H-indol-2-yl]methanone has a molecular weight of 450.48 g/mol, XLogP of 5.16, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(3-fluorophenyl)-1H-indol-2-yl]methanone is sourced from PubChem (CID 66556590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).