2-(6-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[6-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide

C44H35ClN14O4 — CID 157426758

About 2-(6-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[6-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide

2-(6-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[6-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide (PubChem CID 157426758) has the molecular formula C44H35ClN14O4 and a molecular weight of 859.31 g/mol. Its IUPAC name is 2-(6-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[6-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(6-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[6-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide
• PubChem CID: 157426758
• Molecular Formula: C44H35ClN14O4
• Molecular Weight: 859.31 g/mol
• Exact Mass: 858.27
• IUPAC Name: 2-(6-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[6-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide
• SMILES: Cc1nc(C)c(C(=O)Nc2cccc(-c3nc4ncc(-c5ccccc5)cn4n3)n2)o1.Cc1nc(C)c(C(N)=O)o1.Clc1cccc(-c2nc3ncc(-c4ccccc4)cn3n2)n1
• InChI: InChI=1S/C22H17N7O2.C16H10ClN5.C6H8N2O2/c1-13-19(31-14(2)24-13)21(30)26-18-10-6-9-17(25-18)20-27-22-23-11-16(12-29(22)28-20)15-7-4-3-5-8-15;17-14-8-4-7-13(19-14)15-20-16-18-9-12(10-22(16)21-15)11-5-2-1-3-6-11;1-3-5(6(7)9)10-4(2)8-3/h3-12H,1-2H3,(H,25,26,30);1-10H;1-2H3,(H2,7,9)
• InChIKey: BQAXSNUIOMYLGM-UHFFFAOYSA-N
• XLogP: 7.61
• TPSA: 236.19 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 7
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	859.31
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[6-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide?

The IUPAC name of 2-(6-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[6-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide (CID 157426758) is 2-(6-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[6-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide.

What is the SMILES notation for 2-(6-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[6-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide?

The canonical SMILES for 2-(6-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[6-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide is Cc1nc(C)c(C(=O)Nc2cccc(-c3nc4ncc(-c5ccccc5)cn4n3)n2)o1.Cc1nc(C)c(C(N)=O)o1.Clc1cccc(-c2nc3ncc(-c4ccccc4)cn3n2)n1.

What is the InChIKey of 2-(6-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[6-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide?

The InChIKey is BQAXSNUIOMYLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N7O2.C16H10ClN5.C6H8N2O2/c1-13-19(31-14(2)24-13)21(30)26-18-10-6-9-17(25-18)20-27-22-23-11-16(12-29(22)28-20)15-7-4-3-5-8-15;17-14-8-4-7-13(19-14)15-20-16-18-9-12(10-22(16)21-15)11-5-2-1-3-6-11;1-3-5(6(7)9)10-4(2)8-3/h3-12H,1-2H3,(H,25,26,30);1-10H;1-2H3,(H2,7,9).

What are the key properties of 2-(6-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[6-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide?

2-(6-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[6-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide has a molecular weight of 859.31 g/mol, XLogP of 7.61, 7 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(6-chloro-2-pyridinyl)-6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;2,4-dimethyl-1,3-oxazole-5-carboxamide;2,4-dimethyl-N-[6-(6-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-2-pyridinyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 157426758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).