1-(6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carbaldehyde

C30H22N10O3 — CID 158244825

About 1-(6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carbaldehyde

1-(6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carbaldehyde (PubChem CID 158244825) has the molecular formula C30H22N10O3 and a molecular weight of 570.57 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carbaldehyde.

Molecular Properties

• Compound Name: 1-(6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carbaldehyde
• PubChem CID: 158244825
• Molecular Formula: C30H22N10O3
• Molecular Weight: 570.57 g/mol
• Exact Mass: 570.19
• IUPAC Name: 1-(6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carbaldehyde
• SMILES: Cc1cccc(-c2[nH]c(C=O)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(C(=O)C(=O)c2ccc3ncnn3c2)n1
• InChI: InChI=1S/C16H12N6O.C14H10N4O2/c1-10-3-2-4-12(19-10)16-15(20-13(8-23)21-16)11-5-6-14-17-9-18-22(14)7-11;1-9-3-2-4-11(17-9)14(20)13(19)10-5-6-12-15-8-16-18(12)7-10/h2-9H,1H3,(H,20,21);2-8H,1H3
• InChIKey: GFZJYGQFNIKDIV-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 166.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 12
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.57
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carbaldehyde?

The IUPAC name of 1-(6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carbaldehyde (CID 158244825) is 1-(6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carbaldehyde.

What is the SMILES notation for 1-(6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carbaldehyde?

The canonical SMILES for 1-(6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carbaldehyde is Cc1cccc(-c2[nH]c(C=O)nc2-c2ccc3ncnn3c2)n1.Cc1cccc(C(=O)C(=O)c2ccc3ncnn3c2)n1.

What is the InChIKey of 1-(6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carbaldehyde?

The InChIKey is GFZJYGQFNIKDIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N6O.C14H10N4O2/c1-10-3-2-4-12(19-10)16-15(20-13(8-23)21-16)11-5-6-14-17-9-18-22(14)7-11;1-9-3-2-4-11(17-9)14(20)13(19)10-5-6-12-15-8-16-18(12)7-10/h2-9H,1H3,(H,20,21);2-8H,1H3.

What are the key properties of 1-(6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carbaldehyde?

1-(6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carbaldehyde has a molecular weight of 570.57 g/mol, XLogP of 3.80, 6 rotatable bonds, 1 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(6-methyl-2-pyridinyl)-2-([1,2,4]triazolo[1,5-a]pyridin-6-yl)ethane-1,2-dione;5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazole-2-carbaldehyde is sourced from PubChem (CID 158244825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).