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

C19H27F3N6O4 — CID 155862066

IUPAC2-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN2Cc3cncn3C(COCC(=O)N(C)C)C2)n(C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N6O2.C2HF3O2/c1-13-5-14(21(4)19-13)7-22-8-15-6-18-12-23(15)16(9-22)10-25-11-17(24)20(2)3;3-2(4,5)1(6)7/h5-6,12,16H,7-11H2,1-4H3;(H,6,7)
InChIKeyWGNHQWGLBYKHOL-UHFFFAOYSA-N
MW460.46 g/mol
LogP1.22
Rot. Bonds6

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

2-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid (PubChem CID 155862066) has the molecular formula C19H27F3N6O4 and a molecular weight of 460.46 g/mol. Its IUPAC name is 2-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
PubChem CID155862066
Molecular FormulaC19H27F3N6O4
Molecular Weight460.46 g/mol
Exact Mass460.20
IUPAC Name2-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid
SMILESCc1cc(CN2Cc3cncn3C(COCC(=O)N(C)C)C2)n(C)n1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N6O2.C2HF3O2/c1-13-5-14(21(4)19-13)7-22-8-15-6-18-12-23(15)16(9-22)10-25-11-17(24)20(2)3;3-2(4,5)1(6)7/h5-6,12,16H,7-11H2,1-4H3;(H,6,7)
InChIKeyWGNHQWGLBYKHOL-UHFFFAOYSA-N
XLogP1.22
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.46
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid (CID 155862066) is 2-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid is Cc1cc(CN2Cc3cncn3C(COCC(=O)N(C)C)C2)n(C)n1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
The InChIKey is WGNHQWGLBYKHOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6O2.C2HF3O2/c1-13-5-14(21(4)19-13)7-22-8-15-6-18-12-23(15)16(9-22)10-25-11-17(24)20(2)3;3-2(4,5)1(6)7/h5-6,12,16H,7-11H2,1-4H3;(H,6,7).
What are the key properties of 2-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid?
2-[[7-[(2,5-dimethylpyrazol-3-yl)methyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid has a molecular weight of 460.46 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 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]-6,8-dihydro-5H-imidazo[1,5-a]pyrazin-5-yl]methoxy]-N,N-dimethylacetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155862066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).