2-[3-[2-(2-cyclopropyl-1H-imidazol-5-yl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-yl acetate

C33H32FN3O5 — CID 168866830

About 2-[3-[2-(2-cyclopropyl-1H-imidazol-5-yl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-yl acetate

2-[3-[2-(2-cyclopropyl-1H-imidazol-5-yl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-yl acetate (PubChem CID 168866830) has the molecular formula C33H32FN3O5 and a molecular weight of 569.63 g/mol. Its IUPAC name is 2-[3-[2-(2-cyclopropyl-1H-imidazol-5-yl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-yl acetate.

Molecular Properties

• Compound Name: 2-[3-[2-(2-cyclopropyl-1H-imidazol-5-yl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-yl acetate
• PubChem CID: 168866830
• Molecular Formula: C33H32FN3O5
• Molecular Weight: 569.63 g/mol
• Exact Mass: 569.23
• IUPAC Name: 2-[3-[2-(2-cyclopropyl-1H-imidazol-5-yl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-yl acetate
• SMILES: CC(=O)OC(C)(C)c1ccc(Oc2c(C)cc(F)cc2C)c(-c2cn(C)c(=O)c3cc(-c4cnc(C5CC5)[nH]4)oc23)c1
• InChI: InChI=1S/C33H32FN3O5/c1-17-11-22(34)12-18(2)29(17)40-27-10-9-21(33(4,5)42-19(3)38)13-23(27)25-16-37(6)32(39)24-14-28(41-30(24)25)26-15-35-31(36-26)20-7-8-20/h9-16,20H,7-8H2,1-6H3,(H,35,36)
• InChIKey: JGYDAJWZTUTUIJ-UHFFFAOYSA-N
• XLogP: 7.41
• TPSA: 99.35 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.63
LogP ≤ 5	7.41
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(2-cyclopropyl-1H-imidazol-5-yl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-yl acetate?

The IUPAC name of 2-[3-[2-(2-cyclopropyl-1H-imidazol-5-yl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-yl acetate (CID 168866830) is 2-[3-[2-(2-cyclopropyl-1H-imidazol-5-yl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-yl acetate.

What is the SMILES notation for 2-[3-[2-(2-cyclopropyl-1H-imidazol-5-yl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-yl acetate?

The canonical SMILES for 2-[3-[2-(2-cyclopropyl-1H-imidazol-5-yl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-yl acetate is CC(=O)OC(C)(C)c1ccc(Oc2c(C)cc(F)cc2C)c(-c2cn(C)c(=O)c3cc(-c4cnc(C5CC5)[nH]4)oc23)c1.

What is the InChIKey of 2-[3-[2-(2-cyclopropyl-1H-imidazol-5-yl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-yl acetate?

The InChIKey is JGYDAJWZTUTUIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32FN3O5/c1-17-11-22(34)12-18(2)29(17)40-27-10-9-21(33(4,5)42-19(3)38)13-23(27)25-16-37(6)32(39)24-14-28(41-30(24)25)26-15-35-31(36-26)20-7-8-20/h9-16,20H,7-8H2,1-6H3,(H,35,36).

What are the key properties of 2-[3-[2-(2-cyclopropyl-1H-imidazol-5-yl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-yl acetate?

2-[3-[2-(2-cyclopropyl-1H-imidazol-5-yl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-yl acetate has a molecular weight of 569.63 g/mol, XLogP of 7.41, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[2-(2-cyclopropyl-1H-imidazol-5-yl)-5-methyl-4-oxofuro[3,2-c]pyridin-7-yl]-4-(4-fluoro-2,6-dimethylphenoxy)phenyl]propan-2-yl acetate is sourced from PubChem (CID 168866830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).