5-[[2-[[4-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]-1,3,4-oxadiazole-2-carboxylic acid

C26H20ClFN10O4 — CID 155883679

About 5-[[2-[[4-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]-1,3,4-oxadiazole-2-carboxylic acid

5-[[2-[[4-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]-1,3,4-oxadiazole-2-carboxylic acid (PubChem CID 155883679) has the molecular formula C26H20ClFN10O4 and a molecular weight of 590.96 g/mol. Its IUPAC name is 5-[[2-[[4-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]-1,3,4-oxadiazole-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[[2-[[4-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]-1,3,4-oxadiazole-2-carboxylic acid
• PubChem CID: 155883679
• Molecular Formula: C26H20ClFN10O4
• Molecular Weight: 590.96 g/mol
• Exact Mass: 590.13
• IUPAC Name: 5-[[2-[[4-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]-1,3,4-oxadiazole-2-carboxylic acid
• SMILES: O=C(NCc1cn2c(F)c(Cl)ccc2n1)c1cn(Cc2cn3cc(C4CC4)cc(Cc4nnc(C(=O)O)o4)c3n2)nn1
• InChI: InChI=1S/C26H20ClFN10O4/c27-18-3-4-20-30-16(11-38(20)22(18)28)7-29-24(39)19-12-37(35-32-19)10-17-9-36-8-15(13-1-2-13)5-14(23(36)31-17)6-21-33-34-25(42-21)26(40)41/h3-5,8-9,11-13H,1-2,6-7,10H2,(H,29,39)(H,40,41)
• InChIKey: BMCVXVOXDQSAET-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 170.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 12
• Rotatable Bonds: 9
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	590.96
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[2-[[4-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]-1,3,4-oxadiazole-2-carboxylic acid?

The IUPAC name of 5-[[2-[[4-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]-1,3,4-oxadiazole-2-carboxylic acid (CID 155883679) is 5-[[2-[[4-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]-1,3,4-oxadiazole-2-carboxylic acid.

What is the SMILES notation for 5-[[2-[[4-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]-1,3,4-oxadiazole-2-carboxylic acid?

The canonical SMILES for 5-[[2-[[4-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]-1,3,4-oxadiazole-2-carboxylic acid is O=C(NCc1cn2c(F)c(Cl)ccc2n1)c1cn(Cc2cn3cc(C4CC4)cc(Cc4nnc(C(=O)O)o4)c3n2)nn1.

What is the InChIKey of 5-[[2-[[4-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]-1,3,4-oxadiazole-2-carboxylic acid?

The InChIKey is BMCVXVOXDQSAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClFN10O4/c27-18-3-4-20-30-16(11-38(20)22(18)28)7-29-24(39)19-12-37(35-32-19)10-17-9-36-8-15(13-1-2-13)5-14(23(36)31-17)6-21-33-34-25(42-21)26(40)41/h3-5,8-9,11-13H,1-2,6-7,10H2,(H,29,39)(H,40,41).

What are the key properties of 5-[[2-[[4-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]-1,3,4-oxadiazole-2-carboxylic acid?

5-[[2-[[4-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]-1,3,4-oxadiazole-2-carboxylic acid has a molecular weight of 590.96 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[2-[[4-[(6-chloro-5-fluoroimidazo[1,2-a]pyridin-2-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]methyl]-1,3,4-oxadiazole-2-carboxylic acid is sourced from PubChem (CID 155883679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).