N-iodo-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine

C24H19F3IN7 — CID 155582181

About N-iodo-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine

N-iodo-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (PubChem CID 155582181) has the molecular formula C24H19F3IN7 and a molecular weight of 589.36 g/mol. Its IUPAC name is N-iodo-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

• Compound Name: N-iodo-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
• PubChem CID: 155582181
• Molecular Formula: C24H19F3IN7
• Molecular Weight: 589.36 g/mol
• Exact Mass: 589.07
• IUPAC Name: N-iodo-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
• SMILES: Cc1cccc(-c2[nH]c(CN(I)Cc3ccccc3C(F)(F)F)nc2-c2ccc3ncnn3c2)n1
• InChI: InChI=1S/C24H19F3IN7/c1-15-5-4-8-19(31-15)23-22(17-9-10-21-29-14-30-35(21)12-17)32-20(33-23)13-34(28)11-16-6-2-3-7-18(16)24(25,26)27/h2-10,12,14H,11,13H2,1H3,(H,32,33)
• InChIKey: YVHNIFNUFXRTDK-UHFFFAOYSA-N
• XLogP: 5.86
• TPSA: 75.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.36
LogP ≤ 5	5.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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 N-iodo-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine?

The IUPAC name of N-iodo-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine (CID 155582181) is N-iodo-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine.

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

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

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

The InChIKey is YVHNIFNUFXRTDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3IN7/c1-15-5-4-8-19(31-15)23-22(17-9-10-21-29-14-30-35(21)12-17)32-20(33-23)13-34(28)11-16-6-2-3-7-18(16)24(25,26)27/h2-10,12,14H,11,13H2,1H3,(H,32,33).

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

N-iodo-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine has a molecular weight of 589.36 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-iodo-N-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methyl]-1-[2-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 155582181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).