N-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid

C19H27F3N4O3 — CID 118743378

IUPACN-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
SMILESCC1c2ncc(CNC(=O)C3CC3)n2CCN1CC1CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O.C2HF3O2/c1-12-16-18-9-15(10-19-17(22)14-5-6-14)21(16)8-7-20(12)11-13-3-2-4-13;3-2(4,5)1(6)7/h9,12-14H,2-8,10-11H2,1H3,(H,19,22);(H,6,7)
InChIKeyBKCBJOFLWDGCLS-UHFFFAOYSA-N
MW416.44 g/mol
LogP2.72
Rot. Bonds5

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

N-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid (PubChem CID 118743378) has the molecular formula C19H27F3N4O3 and a molecular weight of 416.44 g/mol. Its IUPAC name is N-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound NameN-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
PubChem CID118743378
Molecular FormulaC19H27F3N4O3
Molecular Weight416.44 g/mol
Exact Mass416.20
IUPAC NameN-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid
SMILESCC1c2ncc(CNC(=O)C3CC3)n2CCN1CC1CCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C17H26N4O.C2HF3O2/c1-12-16-18-9-15(10-19-17(22)14-5-6-14)21(16)8-7-20(12)11-13-3-2-4-13;3-2(4,5)1(6)7/h9,12-14H,2-8,10-11H2,1H3,(H,19,22);(H,6,7)
InChIKeyBKCBJOFLWDGCLS-UHFFFAOYSA-N
XLogP2.72
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.44
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of N-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid (CID 118743378) is N-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for N-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for N-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid is CC1c2ncc(CNC(=O)C3CC3)n2CCN1CC1CCC1.O=C(O)C(F)(F)F.
What is the InChIKey of N-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is BKCBJOFLWDGCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O.C2HF3O2/c1-12-16-18-9-15(10-19-17(22)14-5-6-14)21(16)8-7-20(12)11-13-3-2-4-13;3-2(4,5)1(6)7/h9,12-14H,2-8,10-11H2,1H3,(H,19,22);(H,6,7).
What are the key properties of N-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid?
N-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 416.44 g/mol, XLogP of 2.72, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(cyclobutylmethyl)-8-methyl-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-3-yl]methyl]cyclopropanecarboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 118743378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).