[2-(morpholin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid

C18H26F3N5O4 — CID 155834268

IUPAC[2-(morpholin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
SMILESO=C(N1CCCC1)N1CCn2cc(CN3CCOCC3)nc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N5O2.C2HF3O2/c22-16(19-3-1-2-4-19)21-6-5-20-12-14(17-15(20)13-21)11-18-7-9-23-10-8-18;3-2(4,5)1(6)7/h12H,1-11,13H2;(H,6,7)
InChIKeyPXAPLNALLNEWKY-UHFFFAOYSA-N
MW433.43 g/mol
LogP1.38
Rot. Bonds2

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

[2-(morpholin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155834268) has the molecular formula C18H26F3N5O4 and a molecular weight of 433.43 g/mol. Its IUPAC name is [2-(morpholin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[2-(morpholin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
PubChem CID155834268
Molecular FormulaC18H26F3N5O4
Molecular Weight433.43 g/mol
Exact Mass433.19
IUPAC Name[2-(morpholin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid
SMILESO=C(N1CCCC1)N1CCn2cc(CN3CCOCC3)nc2C1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H25N5O2.C2HF3O2/c22-16(19-3-1-2-4-19)21-6-5-20-12-14(17-15(20)13-21)11-18-7-9-23-10-8-18;3-2(4,5)1(6)7/h12H,1-11,13H2;(H,6,7)
InChIKeyPXAPLNALLNEWKY-UHFFFAOYSA-N
XLogP1.38
TPSA91.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.43
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(morpholin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone
CID 97467466
N-[2-oxo-2-[2-(piperidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethyl]acetamide;2,2,2-trifluoroacetic acid
CID 118743520
Morpholin-4-yl-[3-(piperidin-1-ylmethyl)-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepin-7-yl]methanone;2,2,2-trifluoroacetic acid
CID 118744896
7-(cyclopropylmethyl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 118745836
N-[[7-(2-methoxyethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]-N-methylpropan-2-amine;bis(2,2,2-trifluoroacetic acid)
CID 118745920
1-(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methoxyethanone;bis(2,2,2-trifluoroacetic acid)
CID 118745941
N-ethyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]ethanamine;bis(2,2,2-trifluoroacetic acid)
CID 118746022
3-methoxy-1-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one;bis(2,2,2-trifluoroacetic acid)
CID 118746136
N-methyl-N-[[7-(oxolan-3-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-pyrimidin-5-ylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 118746361
[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-morpholin-4-ylmethanone;bis(2,2,2-trifluoroacetic acid)
CID 118746395
N-[2-[2-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-oxoethyl]acetamide;bis(2,2,2-trifluoroacetic acid)
CID 118746397
7-(oxan-4-yl)-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 118746473

Frequently Asked Questions

What is the IUPAC name of [2-(morpholin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of [2-(morpholin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid (CID 155834268) is [2-(morpholin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [2-(morpholin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for [2-(morpholin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid is O=C(N1CCCC1)N1CCn2cc(CN3CCOCC3)nc2C1.O=C(O)C(F)(F)F.
What is the InChIKey of [2-(morpholin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
The InChIKey is PXAPLNALLNEWKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2.C2HF3O2/c22-16(19-3-1-2-4-19)21-6-5-20-12-14(17-15(20)13-21)11-18-7-9-23-10-8-18;3-2(4,5)1(6)7/h12H,1-11,13H2;(H,6,7).
What are the key properties of [2-(morpholin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid?
[2-(morpholin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 433.43 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(morpholin-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-pyrrolidin-1-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155834268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).