N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid

C27H23BrN8O4 — CID 162225503

About N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid

N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid (PubChem CID 162225503) has the molecular formula C27H23BrN8O4 and a molecular weight of 603.44 g/mol. Its IUPAC name is N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid.

Molecular Properties

• Compound Name: N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid
• PubChem CID: 162225503
• Molecular Formula: C27H23BrN8O4
• Molecular Weight: 603.44 g/mol
• Exact Mass: 602.10
• IUPAC Name: N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid
• SMILES: O=C(Nc1nc2cccc(Br)n2n1)C1CC1.O=C(O)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1
• InChI: InChI=1S/C17H14N4O3.C10H9BrN4O/c22-15(11-6-7-11)19-17-18-14-3-1-2-13(21(14)20-17)10-4-8-12(9-5-10)16(23)24;11-7-2-1-3-8-12-10(14-15(7)8)13-9(16)6-4-5-6/h1-5,8-9,11H,6-7H2,(H,23,24)(H,19,20,22);1-3,6H,4-5H2,(H,13,14,16)
• InChIKey: ZURYDZNJTBTFSL-UHFFFAOYSA-N
• XLogP: 4.28
• TPSA: 155.88 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.44
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid?

The IUPAC name of N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid (CID 162225503) is N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid.

What is the SMILES notation for N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid?

The canonical SMILES for N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid is O=C(Nc1nc2cccc(Br)n2n1)C1CC1.O=C(O)c1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.

What is the InChIKey of N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid?

The InChIKey is ZURYDZNJTBTFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O3.C10H9BrN4O/c22-15(11-6-7-11)19-17-18-14-3-1-2-13(21(14)20-17)10-4-8-12(9-5-10)16(23)24;11-7-2-1-3-8-12-10(14-15(7)8)13-9(16)6-4-5-6/h1-5,8-9,11H,6-7H2,(H,23,24)(H,19,20,22);1-3,6H,4-5H2,(H,13,14,16).

What are the key properties of N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid?

N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid has a molecular weight of 603.44 g/mol, XLogP of 4.28, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropanecarboxamide;4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]benzoic acid is sourced from PubChem (CID 162225503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).