7-cyclobutyl-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid

C22H33F3N4O4 — CID 155842700

IUPAC7-cyclobutyl-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC2(CN(C3CCC3)CC2c2cn(C(C)C)cn2)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C20H32N4O2.C2HF3O2/c1-15(2)24-12-18(21-14-24)17-11-23(16-5-4-6-16)13-20(17)7-8-22(19(20)25)9-10-26-3;3-2(4,5)1(6)7/h12,14-17H,4-11,13H2,1-3H3;(H,6,7)
InChIKeyUXMJOYZCSUNOET-UHFFFAOYSA-N
MW474.52 g/mol
LogP2.91
Rot. Bonds6

About 7-cyclobutyl-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid

7-cyclobutyl-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid (PubChem CID 155842700) has the molecular formula C22H33F3N4O4 and a molecular weight of 474.52 g/mol. Its IUPAC name is 7-cyclobutyl-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name7-cyclobutyl-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
PubChem CID155842700
Molecular FormulaC22H33F3N4O4
Molecular Weight474.52 g/mol
Exact Mass474.25
IUPAC Name7-cyclobutyl-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
SMILESCOCCN1CCC2(CN(C3CCC3)CC2c2cn(C(C)C)cn2)C1=O.O=C(O)C(F)(F)F
InChIInChI=1S/C20H32N4O2.C2HF3O2/c1-15(2)24-12-18(21-14-24)17-11-23(16-5-4-6-16)13-20(17)7-8-22(19(20)25)9-10-26-3;3-2(4,5)1(6)7/h12,14-17H,4-11,13H2,1-3H3;(H,6,7)
InChIKeyUXMJOYZCSUNOET-UHFFFAOYSA-N
XLogP2.91
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.52
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-cyclobutyl-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-(2-methoxyethyl)-7-methyl-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131669847
2-(2-methoxyethyl)-7-[(6-methyl-2-pyridinyl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;tris(2,2,2-trifluoroacetic acid)
CID 155860990
7-cyclobutyl-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131672355
7-[(1-ethylpyrazol-4-yl)methyl]-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131672362
7-[(3-chlorophenyl)methyl]-2-(cyclopropylmethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155850803
(5S,9S)-2-(2-methoxyethyl)-9-methyl-7-pyridin-2-yl-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155826254
7-(furan-3-ylmethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid
CID 155836626
7-(cyclopropylmethyl)-4-(1-propan-2-ylimidazol-4-yl)-2-(thiophene-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 131680903
7-[2-(furan-2-yl)acetyl]-2-(2-methoxyethyl)-9-(1-methylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131672334
2-(2-methoxyethyl)-9-(pyridine-4-carbonyl)-2,9-diazaspiro[4.5]decan-1-one;2,2,2-trifluoroacetic acid
CID 155855059
7-(2-cyclopropylacetyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131669855
9-(1-propan-2-ylimidazol-4-yl)-2,7-bis(pyridin-3-ylmethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 131672381

Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid?
The IUPAC name of 7-cyclobutyl-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid (CID 155842700) is 7-cyclobutyl-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 7-cyclobutyl-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid?
The canonical SMILES for 7-cyclobutyl-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid is COCCN1CCC2(CN(C3CCC3)CC2c2cn(C(C)C)cn2)C1=O.O=C(O)C(F)(F)F.
What is the InChIKey of 7-cyclobutyl-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid?
The InChIKey is UXMJOYZCSUNOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2.C2HF3O2/c1-15(2)24-12-18(21-14-24)17-11-23(16-5-4-6-16)13-20(17)7-8-22(19(20)25)9-10-26-3;3-2(4,5)1(6)7/h12,14-17H,4-11,13H2,1-3H3;(H,6,7).
What are the key properties of 7-cyclobutyl-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid?
7-cyclobutyl-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid has a molecular weight of 474.52 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-2-(2-methoxyethyl)-9-(1-propan-2-ylimidazol-4-yl)-2,7-diazaspiro[4.4]nonan-1-one;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155842700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).