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

C18H27F3N4O4 — CID 155846369

IUPAC2-[(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
SMILESCC1c2ncc(COCC(=O)N(C)C)n2CCN1C1CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H26N4O2.C2HF3O2/c1-12-16-17-9-14(10-22-11-15(21)18(2)3)20(16)8-7-19(12)13-5-4-6-13;3-2(4,5)1(6)7/h9,12-13H,4-8,10-11H2,1-3H3;(H,6,7)
InChIKeyFYFCEBGXFQSOLH-UHFFFAOYSA-N
MW420.43 g/mol
LogP2.05
Rot. Bonds5

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

2-[(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 155846369) has the molecular formula C18H27F3N4O4 and a molecular weight of 420.43 g/mol. Its IUPAC name is 2-[(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
PubChem CID155846369
Molecular FormulaC18H27F3N4O4
Molecular Weight420.43 g/mol
Exact Mass420.20
IUPAC Name2-[(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
SMILESCC1c2ncc(COCC(=O)N(C)C)n2CCN1C1CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H26N4O2.C2HF3O2/c1-12-16-17-9-14(10-22-11-15(21)18(2)3)20(16)8-7-19(12)13-5-4-6-13;3-2(4,5)1(6)7/h9,12-13H,4-8,10-11H2,1-3H3;(H,6,7)
InChIKeyFYFCEBGXFQSOLH-UHFFFAOYSA-N
XLogP2.05
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.43
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(cyclopropylmethoxymethyl)-7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118742724
8-methyl-3-(oxan-4-ylmethoxymethyl)-7-propan-2-yl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118742734
7-cyclobutyl-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118743400
7-cyclopentyl-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 118743402
2-methoxy-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746668
6-(trifluoromethyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-3-carboxylic acid
CID 124178285
ethyl 6-(trifluoromethyl)-6,8-dihydro-5H-imidazo[5,1-c][1,4]oxazine-3-carboxylate
CID 132182895
(3,3-difluorocyclobutyl)-[(8R)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97421829
(3,3-difluorocyclobutyl)-[(8S)-3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97421830
(3,3-difluorocyclobutyl)-[3-(methoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 131650419
2-[[7-(1-fluorocyclopropanecarbonyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 131689262
2-[(7,8-dimethyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
CID 155825441

Frequently Asked Questions

What is the IUPAC name of 2-[(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid (CID 155846369) is 2-[(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid is CC1c2ncc(COCC(=O)N(C)C)n2CCN1C1CCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is FYFCEBGXFQSOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2.C2HF3O2/c1-12-16-17-9-14(10-22-11-15(21)18(2)3)20(16)8-7-19(12)13-5-4-6-13;3-2(4,5)1(6)7/h9,12-13H,4-8,10-11H2,1-3H3;(H,6,7).
What are the key properties of 2-[(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
2-[(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 420.43 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-cyclobutyl-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl)methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155846369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).