2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(2-methoxyethyl)acetamide;2,2,2-trifluoroacetic acid

C20H29F3N6O4 — CID 155861049

IUPAC2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(2-methoxyethyl)acetamide;2,2,2-trifluoroacetic acid
SMILESCOCCNC(=O)Cc1cn2c(n1)C(C)N(Cc1cc(C)nn1C)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N6O2.C2HF3O2/c1-13-9-16(22(3)21-13)12-23-6-7-24-11-15(20-18(24)14(23)2)10-17(25)19-5-8-26-4;3-2(4,5)1(6)7/h9,11,14H,5-8,10,12H2,1-4H3,(H,19,25);(H,6,7)
InChIKeyQPFWDBKGSAFMLN-UHFFFAOYSA-N
MW474.48 g/mol
LogP1.44
Rot. Bonds7

About 2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(2-methoxyethyl)acetamide;2,2,2-trifluoroacetic acid

2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(2-methoxyethyl)acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155861049) has the molecular formula C20H29F3N6O4 and a molecular weight of 474.48 g/mol. Its IUPAC name is 2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(2-methoxyethyl)acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(2-methoxyethyl)acetamide;2,2,2-trifluoroacetic acid
PubChem CID155861049
Molecular FormulaC20H29F3N6O4
Molecular Weight474.48 g/mol
Exact Mass474.22
IUPAC Name2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(2-methoxyethyl)acetamide;2,2,2-trifluoroacetic acid
SMILESCOCCNC(=O)Cc1cn2c(n1)C(C)N(Cc1cc(C)nn1C)CC2.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N6O2.C2HF3O2/c1-13-9-16(22(3)21-13)12-23-6-7-24-11-15(20-18(24)14(23)2)10-17(25)19-5-8-26-4;3-2(4,5)1(6)7/h9,11,14H,5-8,10,12H2,1-4H3,(H,19,25);(H,6,7)
InChIKeyQPFWDBKGSAFMLN-UHFFFAOYSA-N
XLogP1.44
TPSA114.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.48
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(2-methoxyethyl)acetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(2-methoxyethyl)acetamide;2,2,2-trifluoroacetic acid (CID 155861049) is 2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(2-methoxyethyl)acetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(2-methoxyethyl)acetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(2-methoxyethyl)acetamide;2,2,2-trifluoroacetic acid is COCCNC(=O)Cc1cn2c(n1)C(C)N(Cc1cc(C)nn1C)CC2.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(2-methoxyethyl)acetamide;2,2,2-trifluoroacetic acid?
The InChIKey is QPFWDBKGSAFMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2.C2HF3O2/c1-13-9-16(22(3)21-13)12-23-6-7-24-11-15(20-18(24)14(23)2)10-17(25)19-5-8-26-4;3-2(4,5)1(6)7/h9,11,14H,5-8,10,12H2,1-4H3,(H,19,25);(H,6,7).
What are the key properties of 2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(2-methoxyethyl)acetamide;2,2,2-trifluoroacetic acid?
2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(2-methoxyethyl)acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 474.48 g/mol, XLogP of 1.44, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(2,5-dimethylpyrazol-3-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N-(2-methoxyethyl)acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155861049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).