cis-(1R,2R)-N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;(5-formylthiophen-2-yl)boronic acid

C30H24BBrF2N8O6S2 — CID 167663423

About cis-(1R,2R)-N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;(5-formylthiophen-2-yl)boronic acid

cis-(1R,2R)-N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;(5-formylthiophen-2-yl)boronic acid (PubChem CID 167663423) has the molecular formula C30H24BBrF2N8O6S2 and a molecular weight of 785.42 g/mol. Its IUPAC name is cis-(1R,2R)-N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;(5-formylthiophen-2-yl)boronic acid.

Molecular Properties

• Compound Name: cis-(1R,2R)-N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;(5-formylthiophen-2-yl)boronic acid
• PubChem CID: 167663423
• Molecular Formula: C30H24BBrF2N8O6S2
• Molecular Weight: 785.42 g/mol
• Exact Mass: 784.05
• IUPAC Name: cis-(1R,2R)-N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;(5-formylthiophen-2-yl)boronic acid
• SMILES: O=C(Nc1nc2cccc(Br)n2n1)[C@H]1C[C@H]1F.O=Cc1ccc(-c2cccc3nc(NC(=O)[C@H]4C[C@H]4F)nn23)s1.O=Cc1ccc(B(O)O)s1
• InChI: InChI=1S/C15H11FN4O2S.C10H8BrFN4O.C5H5BO3S/c16-10-6-9(10)14(22)18-15-17-13-3-1-2-11(20(13)19-15)12-5-4-8(7-21)23-12;11-7-2-1-3-8-13-10(15-16(7)8)14-9(17)5-4-6(5)12;7-3-4-1-2-5(10-4)6(8)9/h1-5,7,9-10H,6H2,(H,18,19,22);1-3,5-6H,4H2,(H,14,15,17);1-3,8-9H/t9-,10+;5-,6+;/m00./s1
• InChIKey: SGXNVVNLXCIKHP-RMNDCHDHSA-N
• XLogP: 3.60
• TPSA: 193.18 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 14
• Rotatable Bonds: 8
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.42
LogP ≤ 5	3.60
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;(5-formylthiophen-2-yl)boronic acid?

The IUPAC name of cis-(1R,2R)-N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;(5-formylthiophen-2-yl)boronic acid (CID 167663423) is cis-(1R,2R)-N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;(5-formylthiophen-2-yl)boronic acid.

What is the SMILES notation for cis-(1R,2R)-N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;(5-formylthiophen-2-yl)boronic acid?

The canonical SMILES for cis-(1R,2R)-N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;(5-formylthiophen-2-yl)boronic acid is O=C(Nc1nc2cccc(Br)n2n1)[C@H]1C[C@H]1F.O=Cc1ccc(-c2cccc3nc(NC(=O)[C@H]4C[C@H]4F)nn23)s1.O=Cc1ccc(B(O)O)s1.

What is the InChIKey of cis-(1R,2R)-N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;(5-formylthiophen-2-yl)boronic acid?

The InChIKey is SGXNVVNLXCIKHP-RMNDCHDHSA-N. The full InChI is InChI=1S/C15H11FN4O2S.C10H8BrFN4O.C5H5BO3S/c16-10-6-9(10)14(22)18-15-17-13-3-1-2-11(20(13)19-15)12-5-4-8(7-21)23-12;11-7-2-1-3-8-13-10(15-16(7)8)14-9(17)5-4-6(5)12;7-3-4-1-2-5(10-4)6(8)9/h1-5,7,9-10H,6H2,(H,18,19,22);1-3,5-6H,4H2,(H,14,15,17);1-3,8-9H/t9-,10+;5-,6+;/m00./s1.

What are the key properties of cis-(1R,2R)-N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;(5-formylthiophen-2-yl)boronic acid?

cis-(1R,2R)-N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;(5-formylthiophen-2-yl)boronic acid has a molecular weight of 785.42 g/mol, XLogP of 3.60, 8 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2R)-N-(5-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-2-fluoro-N-[5-(5-formylthiophen-2-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropane-1-carboxamide;(5-formylthiophen-2-yl)boronic acid is sourced from PubChem (CID 167663423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).