N-[[7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid

C20H25F3N4O4 — CID 155861549

IUPACN-[[7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2CCn3cc(CNC(=O)C4CCC4)nc3C2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N4O2.C2HF3O2/c1-13-5-6-16(24-13)11-21-7-8-22-10-15(20-17(22)12-21)9-19-18(23)14-3-2-4-14;3-2(4,5)1(6)7/h5-6,10,14H,2-4,7-9,11-12H2,1H3,(H,19,23);(H,6,7)
InChIKeyXCOLDHHHIOIPAI-UHFFFAOYSA-N
MW442.44 g/mol
LogP2.85
Rot. Bonds5

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

N-[[7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155861549) has the molecular formula C20H25F3N4O4 and a molecular weight of 442.44 g/mol. Its IUPAC name is N-[[7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
PubChem CID155861549
Molecular FormulaC20H25F3N4O4
Molecular Weight442.44 g/mol
Exact Mass442.18
IUPAC NameN-[[7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid
SMILESCc1ccc(CN2CCn3cc(CNC(=O)C4CCC4)nc3C2)o1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H24N4O2.C2HF3O2/c1-13-5-6-16(24-13)11-21-7-8-22-10-15(20-17(22)12-21)9-19-18(23)14-3-2-4-14;3-2(4,5)1(6)7/h5-6,10,14H,2-4,7-9,11-12H2,1H3,(H,19,23);(H,6,7)
InChIKeyXCOLDHHHIOIPAI-UHFFFAOYSA-N
XLogP2.85
TPSA100.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.44
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

N-[[7-[(4-methoxyphenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide
CID 97382121
7-[(5-methylthiophen-2-yl)methyl]-2-(pyrrolidin-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155830854
N-[[7-(furan-2-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]-1-methylpyrazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 171672627
2-cyclopropyl-N-[[7-[(2-methyl-1,3-thiazol-4-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 155852044
2-cyclopropyl-N-[[7-[(4-fluorophenyl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 155868565
2-cyclopropyl-N-[[7-(oxan-4-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]acetamide;2,2,2-trifluoroacetic acid
CID 155855876
7-[(5-methylthiophen-2-yl)methyl]-2-(pyrazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155859394
1-[7-(cyclopentylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]-N,N-dimethylmethanamine;bis(2,2,2-trifluoroacetic acid)
CID 118745835
7-[(5-methylthiophen-2-yl)methyl]-2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155848406
1-methyl-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 70985799
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide
CID 46949905
2-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-phenyl-[1,2,4]triazolo[1,5-a]pyridin-6-amine;bis(2,2,2-trifluoroacetic acid)
CID 155847875

Frequently Asked Questions

What is the IUPAC name of N-[[7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid (CID 155861549) is N-[[7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid is Cc1ccc(CN2CCn3cc(CNC(=O)C4CCC4)nc3C2)o1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is XCOLDHHHIOIPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2.C2HF3O2/c1-13-5-6-16(24-13)11-21-7-8-22-10-15(20-17(22)12-21)9-19-18(23)14-3-2-4-14;3-2(4,5)1(6)7/h5-6,10,14H,2-4,7-9,11-12H2,1H3,(H,19,23);(H,6,7).
What are the key properties of N-[[7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid?
N-[[7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 442.44 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[(5-methylfuran-2-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-2-yl]methyl]cyclobutanecarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155861549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).