(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate

C22H16ClF2N7O2 — CID 139505265

About (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate

(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate (PubChem CID 139505265) has the molecular formula C22H16ClF2N7O2 and a molecular weight of 483.87 g/mol. Its IUPAC name is (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate.

Molecular Properties

• Compound Name: (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
• PubChem CID: 139505265
• Molecular Formula: C22H16ClF2N7O2
• Molecular Weight: 483.87 g/mol
• Exact Mass: 483.10
• IUPAC Name: (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate
• SMILES: O=C(OCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)c(F)cc3n2)nn1
• InChI: InChI=1S/C22H16ClF2N7O2/c23-15-3-4-30-11-26-18(21(30)20(15)25)10-34-22(33)17-9-32(29-28-17)7-13-6-31-8-14(12-1-2-12)16(24)5-19(31)27-13/h3-6,8-9,11-12H,1-2,7,10H2
• InChIKey: SDJSFAPPNYFXTA-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 91.61 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.87
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate?

The IUPAC name of (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate (CID 139505265) is (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate.

What is the SMILES notation for (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate?

The canonical SMILES for (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate is O=C(OCc1ncn2ccc(Cl)c(F)c12)c1cn(Cc2cn3cc(C4CC4)c(F)cc3n2)nn1.

What is the InChIKey of (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate?

The InChIKey is SDJSFAPPNYFXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClF2N7O2/c23-15-3-4-30-11-26-18(21(30)20(15)25)10-34-22(33)17-9-32(29-28-17)7-13-6-31-8-14(12-1-2-12)16(24)5-19(31)27-13/h3-6,8-9,11-12H,1-2,7,10H2.

What are the key properties of (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate?

(7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate has a molecular weight of 483.87 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (7-chloro-8-fluoroimidazo[1,5-a]pyridin-1-yl)methyl 1-[(6-cyclopropyl-7-fluoroimidazo[1,2-a]pyridin-2-yl)methyl]triazole-4-carboxylate is sourced from PubChem (CID 139505265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).