[3-[2-(2-aminoethoxy)ethylcarbamoyl]-2-ethyl-6-[[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl] formate

C29H30F3N9O5 — CID 157025215

About [3-[2-(2-aminoethoxy)ethylcarbamoyl]-2-ethyl-6-[[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl] formate

[3-[2-(2-aminoethoxy)ethylcarbamoyl]-2-ethyl-6-[[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl] formate (PubChem CID 157025215) has the molecular formula C29H30F3N9O5 and a molecular weight of 641.61 g/mol. Its IUPAC name is [3-[2-(2-aminoethoxy)ethylcarbamoyl]-2-ethyl-6-[[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl] formate.

Molecular Properties

• Compound Name: [3-[2-(2-aminoethoxy)ethylcarbamoyl]-2-ethyl-6-[[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl] formate
• PubChem CID: 157025215
• Molecular Formula: C29H30F3N9O5
• Molecular Weight: 641.61 g/mol
• Exact Mass: 641.23
• IUPAC Name: [3-[2-(2-aminoethoxy)ethylcarbamoyl]-2-ethyl-6-[[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl] formate
• SMILES: CCc1c(C(=O)NCCOCCN)ccc(Nc2nccn3c(-c4cn(Cc5cc(C)on5)nc4C(F)(F)F)cnc23)c1OC=O
• InChI: InChI=1S/C29H30F3N9O5/c1-3-19-20(28(43)35-8-11-44-10-6-33)4-5-22(24(19)45-16-42)37-26-27-36-13-23(41(27)9-7-34-26)21-15-40(38-25(21)29(30,31)32)14-18-12-17(2)46-39-18/h4-5,7,9,12-13,15-16H,3,6,8,10-11,14,33H2,1-2H3,(H,34,37)(H,35,43)
• InChIKey: JJPKSLXYTMHAJS-UHFFFAOYSA-N
• XLogP: 3.50
• TPSA: 176.72 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 14
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.61
LogP ≤ 5	3.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[2-(2-aminoethoxy)ethylcarbamoyl]-2-ethyl-6-[[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl] formate?

The IUPAC name of [3-[2-(2-aminoethoxy)ethylcarbamoyl]-2-ethyl-6-[[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl] formate (CID 157025215) is [3-[2-(2-aminoethoxy)ethylcarbamoyl]-2-ethyl-6-[[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl] formate.

What is the SMILES notation for [3-[2-(2-aminoethoxy)ethylcarbamoyl]-2-ethyl-6-[[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl] formate?

The canonical SMILES for [3-[2-(2-aminoethoxy)ethylcarbamoyl]-2-ethyl-6-[[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl] formate is CCc1c(C(=O)NCCOCCN)ccc(Nc2nccn3c(-c4cn(Cc5cc(C)on5)nc4C(F)(F)F)cnc23)c1OC=O.

What is the InChIKey of [3-[2-(2-aminoethoxy)ethylcarbamoyl]-2-ethyl-6-[[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl] formate?

The InChIKey is JJPKSLXYTMHAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30F3N9O5/c1-3-19-20(28(43)35-8-11-44-10-6-33)4-5-22(24(19)45-16-42)37-26-27-36-13-23(41(27)9-7-34-26)21-15-40(38-25(21)29(30,31)32)14-18-12-17(2)46-39-18/h4-5,7,9,12-13,15-16H,3,6,8,10-11,14,33H2,1-2H3,(H,34,37)(H,35,43).

What are the key properties of [3-[2-(2-aminoethoxy)ethylcarbamoyl]-2-ethyl-6-[[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl] formate?

[3-[2-(2-aminoethoxy)ethylcarbamoyl]-2-ethyl-6-[[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl] formate has a molecular weight of 641.61 g/mol, XLogP of 3.50, 14 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2-(2-aminoethoxy)ethylcarbamoyl]-2-ethyl-6-[[3-[1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-(trifluoromethyl)pyrazol-4-yl]imidazo[1,2-a]pyrazin-8-yl]amino]phenyl] formate is sourced from PubChem (CID 157025215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).