ethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate

C27H28F3N5O5 — CID 147044284

About ethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate

ethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate (PubChem CID 147044284) has the molecular formula C27H28F3N5O5 and a molecular weight of 559.55 g/mol. Its IUPAC name is ethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate.

Molecular Properties

• Compound Name: ethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate
• PubChem CID: 147044284
• Molecular Formula: C27H28F3N5O5
• Molecular Weight: 559.55 g/mol
• Exact Mass: 559.20
• IUPAC Name: ethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate
• SMILES: CCOC(=O)C(C)(C)n1cc(-c2ccn3c(-c4cc(OC)c(C(=O)NCC(F)(F)F)c(OC)c4)cnc3c2)cn1
• InChI: InChI=1S/C27H28F3N5O5/c1-6-40-25(37)26(2,3)35-14-18(12-33-35)16-7-8-34-19(13-31-22(34)11-16)17-9-20(38-4)23(21(10-17)39-5)24(36)32-15-27(28,29)30/h7-14H,6,15H2,1-5H3,(H,32,36)
• InChIKey: BABFEOJYBXSOHT-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 108.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	559.55
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate?

The IUPAC name of ethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate (CID 147044284) is ethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate.

What is the SMILES notation for ethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate?

The canonical SMILES for ethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate is CCOC(=O)C(C)(C)n1cc(-c2ccn3c(-c4cc(OC)c(C(=O)NCC(F)(F)F)c(OC)c4)cnc3c2)cn1.

What is the InChIKey of ethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate?

The InChIKey is BABFEOJYBXSOHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3N5O5/c1-6-40-25(37)26(2,3)35-14-18(12-33-35)16-7-8-34-19(13-31-22(34)11-16)17-9-20(38-4)23(21(10-17)39-5)24(36)32-15-27(28,29)30/h7-14H,6,15H2,1-5H3,(H,32,36).

What are the key properties of ethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate?

ethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate has a molecular weight of 559.55 g/mol, XLogP of 4.47, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[4-[3-[3,5-dimethoxy-4-(2,2,2-trifluoroethylcarbamoyl)phenyl]imidazo[1,2-a]pyridin-7-yl]pyrazol-1-yl]-2-methylpropanoate is sourced from PubChem (CID 147044284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).