(5-methyl-1,2-oxazol-3-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid

C17H17F3N6O4 — CID 155849531

IUPAC(5-methyl-1,2-oxazol-3-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1cc(C(=O)N2CCn3c(Cn4cccn4)cnc3C2)no1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H16N6O2.C2HF3O2/c1-11-7-13(18-23-11)15(22)19-5-6-21-12(8-16-14(21)10-19)9-20-4-2-3-17-20;3-2(4,5)1(6)7/h2-4,7-8H,5-6,9-10H2,1H3;(H,6,7)
InChIKeyWFMRLBBKAFGABV-UHFFFAOYSA-N
MW426.36 g/mol
LogP1.71
Rot. Bonds3

About (5-methyl-1,2-oxazol-3-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid

(5-methyl-1,2-oxazol-3-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 155849531) has the molecular formula C17H17F3N6O4 and a molecular weight of 426.36 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
PubChem CID155849531
Molecular FormulaC17H17F3N6O4
Molecular Weight426.36 g/mol
Exact Mass426.13
IUPAC Name(5-methyl-1,2-oxazol-3-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid
SMILESCc1cc(C(=O)N2CCn3c(Cn4cccn4)cnc3C2)no1.O=C(O)C(F)(F)F
InChIInChI=1S/C15H16N6O2.C2HF3O2/c1-11-7-13(18-23-11)15(22)19-5-6-21-12(8-16-14(21)10-19)9-20-4-2-3-17-20;3-2(4,5)1(6)7/h2-4,7-8H,5-6,9-10H2,1H3;(H,6,7)
InChIKeyWFMRLBBKAFGABV-UHFFFAOYSA-N
XLogP1.71
TPSA119.28 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.36
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze (5-methyl-1,2-oxazol-3-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

3,5-dimethyl-4-[[3-(pyrazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methyl]-1,2-oxazole;2,2,2-trifluoroacetic acid
CID 118742691
(1-methylpyrrol-2-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97384435
(5-methyl-1,2-oxazol-3-yl)-[3-(1,2,4-triazol-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone
CID 97467143
1-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-thiophen-3-ylethanone
CID 97471170
7-(benzenesulfonyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97471163
[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 90571889
[7-ethyl-3-(3-fluorophenyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl]-(5-methyl-1,2-oxazol-3-yl)methanone;2,2,2-trifluoroacetic acid
CID 155869139
3,5-dimethyl-4-[[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methyl]-1,2-oxazole;bis(2,2,2-trifluoroacetic acid)
CID 171685809
7-[(4-methoxyphenyl)methyl]-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97384428
7-(cyclopropylmethyl)-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 97384441
7-(pyridin-2-ylmethyl)-3-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 118746706
(5-methylfuran-2-yl)-[(8R)-8-methyl-3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone
CID 97384599

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid (CID 155849531) is (5-methyl-1,2-oxazol-3-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid is Cc1cc(C(=O)N2CCn3c(Cn4cccn4)cnc3C2)no1.O=C(O)C(F)(F)F.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?
The InChIKey is WFMRLBBKAFGABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O2.C2HF3O2/c1-11-7-13(18-23-11)15(22)19-5-6-21-12(8-16-14(21)10-19)9-20-4-2-3-17-20;3-2(4,5)1(6)7/h2-4,7-8H,5-6,9-10H2,1H3;(H,6,7).
What are the key properties of (5-methyl-1,2-oxazol-3-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid?
(5-methyl-1,2-oxazol-3-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 426.36 g/mol, XLogP of 1.71, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)-[3-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155849531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).