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

C25H19N7O — CID 66554718

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

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone (PubChem CID 66554718) has the molecular formula C25H19N7O and a molecular weight of 433.48 g/mol. Its IUPAC name is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone.

Molecular Properties

• Compound Name: [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone
• PubChem CID: 66554718
• Molecular Formula: C25H19N7O
• Molecular Weight: 433.48 g/mol
• Exact Mass: 433.17
• IUPAC Name: [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone
• SMILES: Cc1nc2ccc(-n3ncc(C(=O)c4cc5cc(-c6cccnc6)ccc5[nH]4)c3N)cc2[nH]1
• InChI: InChI=1S/C25H19N7O/c1-14-29-21-7-5-18(11-22(21)30-14)32-25(26)19(13-28-32)24(33)23-10-17-9-15(4-6-20(17)31-23)16-3-2-8-27-12-16/h2-13,31H,26H2,1H3,(H,29,30)
• InChIKey: UBHNHZFEBHPHCU-UHFFFAOYSA-N
• XLogP: 4.41
• TPSA: 118.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.48
LogP ≤ 5	4.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone (CID 66554718) is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone.

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

The canonical SMILES for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone is Cc1nc2ccc(-n3ncc(C(=O)c4cc5cc(-c6cccnc6)ccc5[nH]4)c3N)cc2[nH]1.

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

The InChIKey is UBHNHZFEBHPHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N7O/c1-14-29-21-7-5-18(11-22(21)30-14)32-25(26)19(13-28-32)24(33)23-10-17-9-15(4-6-20(17)31-23)16-3-2-8-27-12-16/h2-13,31H,26H2,1H3,(H,29,30).

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

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone has a molecular weight of 433.48 g/mol, XLogP of 4.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-(5-pyridin-3-yl-1H-indol-2-yl)methanone is sourced from PubChem (CID 66554718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).