2-[2-[[4-[(7-chloro-8-fluoro-2-methyl-3H-imidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxy-2-methylpropanoic acid

C27H28ClFN8O4 — CID 163987300

About 2-[2-[[4-[(7-chloro-8-fluoro-2-methyl-3H-imidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxy-2-methylpropanoic acid

2-[2-[[4-[(7-chloro-8-fluoro-2-methyl-3H-imidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxy-2-methylpropanoic acid (PubChem CID 163987300) has the molecular formula C27H28ClFN8O4 and a molecular weight of 583.02 g/mol. Its IUPAC name is 2-[2-[[4-[(7-chloro-8-fluoro-2-methyl-3H-imidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxy-2-methylpropanoic acid.

Molecular Properties

• Compound Name: 2-[2-[[4-[(7-chloro-8-fluoro-2-methyl-3H-imidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxy-2-methylpropanoic acid
• PubChem CID: 163987300
• Molecular Formula: C27H28ClFN8O4
• Molecular Weight: 583.02 g/mol
• Exact Mass: 582.19
• IUPAC Name: 2-[2-[[4-[(7-chloro-8-fluoro-2-methyl-3H-imidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxy-2-methylpropanoic acid
• SMILES: CN1CN2C=CC(Cl)=C(F)C2=C1CNC(=O)c1cn(Cc2cn3cc(C4CC4)cc(OC(C)(C)C(=O)O)c3n2)nn1
• InChI: InChI=1S/C27H28ClFN8O4/c1-27(2,26(39)40)41-21-8-16(15-4-5-15)10-36-11-17(31-24(21)36)12-37-13-19(32-33-37)25(38)30-9-20-23-22(29)18(28)6-7-35(23)14-34(20)3/h6-8,10-11,13,15H,4-5,9,12,14H2,1-3H3,(H,30,38)(H,39,40)
• InChIKey: TXLQGDVQTPTRDZ-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 130.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.02
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-[(7-chloro-8-fluoro-2-methyl-3H-imidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxy-2-methylpropanoic acid?

The IUPAC name of 2-[2-[[4-[(7-chloro-8-fluoro-2-methyl-3H-imidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxy-2-methylpropanoic acid (CID 163987300) is 2-[2-[[4-[(7-chloro-8-fluoro-2-methyl-3H-imidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxy-2-methylpropanoic acid.

What is the SMILES notation for 2-[2-[[4-[(7-chloro-8-fluoro-2-methyl-3H-imidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxy-2-methylpropanoic acid?

The canonical SMILES for 2-[2-[[4-[(7-chloro-8-fluoro-2-methyl-3H-imidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxy-2-methylpropanoic acid is CN1CN2C=CC(Cl)=C(F)C2=C1CNC(=O)c1cn(Cc2cn3cc(C4CC4)cc(OC(C)(C)C(=O)O)c3n2)nn1.

What is the InChIKey of 2-[2-[[4-[(7-chloro-8-fluoro-2-methyl-3H-imidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxy-2-methylpropanoic acid?

The InChIKey is TXLQGDVQTPTRDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28ClFN8O4/c1-27(2,26(39)40)41-21-8-16(15-4-5-15)10-36-11-17(31-24(21)36)12-37-13-19(32-33-37)25(38)30-9-20-23-22(29)18(28)6-7-35(23)14-34(20)3/h6-8,10-11,13,15H,4-5,9,12,14H2,1-3H3,(H,30,38)(H,39,40).

What are the key properties of 2-[2-[[4-[(7-chloro-8-fluoro-2-methyl-3H-imidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxy-2-methylpropanoic acid?

2-[2-[[4-[(7-chloro-8-fluoro-2-methyl-3H-imidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxy-2-methylpropanoic acid has a molecular weight of 583.02 g/mol, XLogP of 3.19, 9 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[[4-[(7-chloro-8-fluoro-2-methyl-3H-imidazo[1,5-a]pyridin-1-yl)methylcarbamoyl]triazol-1-yl]methyl]-6-cyclopropylimidazo[1,2-a]pyridin-8-yl]oxy-2-methylpropanoic acid is sourced from PubChem (CID 163987300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).