N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid

C17H23F3N6O4 — CID 118743763

IUPACN-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCn2cc(CNC(=O)c3cnn(C)c3)nc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N6O2.C2HF3O2/c1-19-9-12(7-17-19)15(22)16-8-13-10-21-4-3-20(5-6-23-2)11-14(21)18-13;3-2(4,5)1(6)7/h7,9-10H,3-6,8,11H2,1-2H3,(H,16,22);(H,6,7)
InChIKeyGXRCNKDGFQPOOO-UHFFFAOYSA-N
MW432.40 g/mol
LogP0.64
Rot. Bonds6

About N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid

N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118743763) has the molecular formula C17H23F3N6O4 and a molecular weight of 432.40 g/mol. Its IUPAC name is N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID118743763
Molecular FormulaC17H23F3N6O4
Molecular Weight432.40 g/mol
Exact Mass432.17
IUPAC NameN-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCn2cc(CNC(=O)c3cnn(C)c3)nc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H22N6O2.C2HF3O2/c1-19-9-12(7-17-19)15(22)16-8-13-10-21-4-3-20(5-6-23-2)11-14(21)18-13;3-2(4,5)1(6)7/h7,9-10H,3-6,8,11H2,1-2H3,(H,16,22);(H,6,7)
InChIKeyGXRCNKDGFQPOOO-UHFFFAOYSA-N
XLogP0.64
TPSA114.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.40
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid (CID 118743763) is N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid is COCCN1CCn2cc(CNC(=O)c3cnn(C)c3)nc2C1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is GXRCNKDGFQPOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2.C2HF3O2/c1-19-9-12(7-17-19)15(22)16-8-13-10-21-4-3-20(5-6-23-2)11-14(21)18-13;3-2(4,5)1(6)7/h7,9-10H,3-6,8,11H2,1-2H3,(H,16,22);(H,6,7).
What are the key properties of N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid?
N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 432.40 g/mol, XLogP of 0.64, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).