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

C30H28N8O — CID 118286495

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

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-pyridin-2-ylpiperidin-3-yl)-1H-indol-2-yl]methanone (PubChem CID 118286495) has the molecular formula C30H28N8O and a molecular weight of 516.61 g/mol. Its IUPAC name is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-pyridin-2-ylpiperidin-3-yl)-1H-indol-2-yl]methanone.

Molecular Properties

• Compound Name: [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-pyridin-2-ylpiperidin-3-yl)-1H-indol-2-yl]methanone
• PubChem CID: 118286495
• Molecular Formula: C30H28N8O
• Molecular Weight: 516.61 g/mol
• Exact Mass: 516.24
• IUPAC Name: [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-pyridin-2-ylpiperidin-3-yl)-1H-indol-2-yl]methanone
• SMILES: Cc1nc2ccc(-n3ncc(C(=O)c4cc5ccc(C6CCCN(c7ccccn7)C6)cc5[nH]4)c3N)cc2[nH]1
• InChI: InChI=1S/C30H28N8O/c1-18-34-24-10-9-22(15-26(24)35-18)38-30(31)23(16-33-38)29(39)27-14-20-8-7-19(13-25(20)36-27)21-5-4-12-37(17-21)28-6-2-3-11-32-28/h2-3,6-11,13-16,21,36H,4-5,12,17,31H2,1H3,(H,34,35)
• InChIKey: VMYHJZQFRDXPGO-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 121.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	516.61
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-pyridin-2-ylpiperidin-3-yl)-1H-indol-2-yl]methanone (CID 118286495) is [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-pyridin-2-ylpiperidin-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]-[6-(1-pyridin-2-ylpiperidin-3-yl)-1H-indol-2-yl]methanone?

The canonical SMILES for [5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-pyridin-2-ylpiperidin-3-yl)-1H-indol-2-yl]methanone is Cc1nc2ccc(-n3ncc(C(=O)c4cc5ccc(C6CCCN(c7ccccn7)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-(1-pyridin-2-ylpiperidin-3-yl)-1H-indol-2-yl]methanone?

The InChIKey is VMYHJZQFRDXPGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N8O/c1-18-34-24-10-9-22(15-26(24)35-18)38-30(31)23(16-33-38)29(39)27-14-20-8-7-19(13-25(20)36-27)21-5-4-12-37(17-21)28-6-2-3-11-32-28/h2-3,6-11,13-16,21,36H,4-5,12,17,31H2,1H3,(H,34,35).

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

[5-amino-1-(2-methyl-3H-benzimidazol-5-yl)pyrazol-4-yl]-[6-(1-pyridin-2-ylpiperidin-3-yl)-1H-indol-2-yl]methanone has a molecular weight of 516.61 g/mol, XLogP of 5.13, 5 rotatable bonds, 3 hydrogen bond donors, and 7 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-(1-pyridin-2-ylpiperidin-3-yl)-1H-indol-2-yl]methanone is sourced from PubChem (CID 118286495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).