1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid

C19H23F3N4O4 — CID 118743051

IUPAC1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid
SMILESCCOCc1cnc2n1CCN(C(=O)Cc1ccccn1)C2C.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N4O2.C2HF3O2/c1-3-23-12-15-11-19-17-13(2)20(8-9-21(15)17)16(22)10-14-6-4-5-7-18-14;3-2(4,5)1(6)7/h4-7,11,13H,3,8-10,12H2,1-2H3;(H,6,7)
InChIKeyXOQFWEMDCXFZKH-UHFFFAOYSA-N
MW428.41 g/mol
LogP2.59
Rot. Bonds5

About 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid

1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid (PubChem CID 118743051) has the molecular formula C19H23F3N4O4 and a molecular weight of 428.41 g/mol. Its IUPAC name is 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid
PubChem CID118743051
Molecular FormulaC19H23F3N4O4
Molecular Weight428.41 g/mol
Exact Mass428.17
IUPAC Name1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid
SMILESCCOCc1cnc2n1CCN(C(=O)Cc1ccccn1)C2C.O=C(O)C(F)(F)F
InChIInChI=1S/C17H22N4O2.C2HF3O2/c1-3-23-12-15-11-19-17-13(2)20(8-9-21(15)17)16(22)10-14-6-4-5-7-18-14;3-2(4,5)1(6)7/h4-7,11,13H,3,8-10,12H2,1-2H3;(H,6,7)
InChIKeyXOQFWEMDCXFZKH-UHFFFAOYSA-N
XLogP2.59
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.41
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid (CID 118743051) is 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid is CCOCc1cnc2n1CCN(C(=O)Cc1ccccn1)C2C.O=C(O)C(F)(F)F.
What is the InChIKey of 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid?
The InChIKey is XOQFWEMDCXFZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.C2HF3O2/c1-3-23-12-15-11-19-17-13(2)20(8-9-21(15)17)16(22)10-14-6-4-5-7-18-14;3-2(4,5)1(6)7/h4-7,11,13H,3,8-10,12H2,1-2H3;(H,6,7).
What are the key properties of 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid?
1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid has a molecular weight of 428.41 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(ethoxymethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-pyridin-2-ylethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).