2-[7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid

C21H29F3N6O4 — CID 155831990

IUPAC2-[7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid
SMILESCCn1cc(CN2CCn3cc(CC(=O)N4CCOCC4)nc3C2C)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H28N6O2.C2HF3O2/c1-3-25-13-16(11-20-25)12-23-4-5-24-14-17(21-19(24)15(23)2)10-18(26)22-6-8-27-9-7-22;3-2(4,5)1(6)7/h11,13-15H,3-10,12H2,1-2H3;(H,6,7)
InChIKeyRHJIEHOIKLQHAK-UHFFFAOYSA-N
MW486.50 g/mol
LogP1.71
Rot. Bonds5

About 2-[7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid

2-[7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid (PubChem CID 155831990) has the molecular formula C21H29F3N6O4 and a molecular weight of 486.50 g/mol. Its IUPAC name is 2-[7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid
PubChem CID155831990
Molecular FormulaC21H29F3N6O4
Molecular Weight486.50 g/mol
Exact Mass486.22
IUPAC Name2-[7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid
SMILESCCn1cc(CN2CCn3cc(CC(=O)N4CCOCC4)nc3C2C)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H28N6O2.C2HF3O2/c1-3-25-13-16(11-20-25)12-23-4-5-24-14-17(21-19(24)15(23)2)10-18(26)22-6-8-27-9-7-22;3-2(4,5)1(6)7/h11,13-15H,3-10,12H2,1-2H3;(H,6,7)
InChIKeyRHJIEHOIKLQHAK-UHFFFAOYSA-N
XLogP1.71
TPSA105.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid (CID 155831990) is 2-[7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid is CCn1cc(CN2CCn3cc(CC(=O)N4CCOCC4)nc3C2C)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid?
The InChIKey is RHJIEHOIKLQHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O2.C2HF3O2/c1-3-25-13-16(11-20-25)12-23-4-5-24-14-17(21-19(24)15(23)2)10-18(26)22-6-8-27-9-7-22;3-2(4,5)1(6)7/h11,13-15H,3-10,12H2,1-2H3;(H,6,7).
What are the key properties of 2-[7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid?
2-[7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid has a molecular weight of 486.50 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[(1-ethylpyrazol-4-yl)methyl]-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-1-morpholin-4-ylethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155831990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).