2-[[iodo-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]methyl]benzonitrile

C24H19IN8 — CID 155582209

About 2-[[iodo-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]methyl]benzonitrile

2-[[iodo-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]methyl]benzonitrile (PubChem CID 155582209) has the molecular formula C24H19IN8 and a molecular weight of 546.38 g/mol. Its IUPAC name is 2-[[iodo-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]methyl]benzonitrile.

Molecular Properties

• Compound Name: 2-[[iodo-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]methyl]benzonitrile
• PubChem CID: 155582209
• Molecular Formula: C24H19IN8
• Molecular Weight: 546.38 g/mol
• Exact Mass: 546.08
• IUPAC Name: 2-[[iodo-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]methyl]benzonitrile
• SMILES: Cc1cccc(-c2[nH]c(CN(I)Cc3ccccc3C#N)nc2-c2ccc3ncnn3c2)n1
• InChI: InChI=1S/C24H19IN8/c1-16-5-4-8-20(29-16)24-23(19-9-10-22-27-15-28-33(22)13-19)30-21(31-24)14-32(25)12-18-7-3-2-6-17(18)11-26/h2-10,13,15H,12,14H2,1H3,(H,30,31)
• InChIKey: FVQMCULWAUBADS-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 98.79 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.38
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[iodo-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]methyl]benzonitrile?

The IUPAC name of 2-[[iodo-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]methyl]benzonitrile (CID 155582209) is 2-[[iodo-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]methyl]benzonitrile.

What is the SMILES notation for 2-[[iodo-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]methyl]benzonitrile?

The canonical SMILES for 2-[[iodo-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]methyl]benzonitrile is Cc1cccc(-c2[nH]c(CN(I)Cc3ccccc3C#N)nc2-c2ccc3ncnn3c2)n1.

What is the InChIKey of 2-[[iodo-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]methyl]benzonitrile?

The InChIKey is FVQMCULWAUBADS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19IN8/c1-16-5-4-8-20(29-16)24-23(19-9-10-22-27-15-28-33(22)13-19)30-21(31-24)14-32(25)12-18-7-3-2-6-17(18)11-26/h2-10,13,15H,12,14H2,1H3,(H,30,31).

What are the key properties of 2-[[iodo-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]methyl]benzonitrile?

2-[[iodo-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]methyl]benzonitrile has a molecular weight of 546.38 g/mol, XLogP of 4.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[iodo-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]amino]methyl]benzonitrile is sourced from PubChem (CID 155582209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).