N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(10-oxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide

C23H22N6O4 — CID 11575929

IUPACN-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(10-oxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide
SMILESCN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN3CN4CC(=O)Nc5cccc3c54)cc1C2
InChIInChI=1S/C23H22N6O4/c1-27-22(33)26-21(32)23(27)8-13-5-6-15(7-14(13)9-23)24-18(30)10-28-12-29-11-19(31)25-16-3-2-4-17(28)20(16)29/h2-7H,8-12H2,1H3,(H,24,30)(H,25,31)(H,26,32,33)
InChIKeyVUWSJHAQMMMHSR-UHFFFAOYSA-N
MW446.47 g/mol
LogP0.88
Rot. Bonds3

About N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(10-oxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide

N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(10-oxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide (PubChem CID 11575929) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(10-oxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide.

Molecular Properties

Compound NameN-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(10-oxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide
PubChem CID11575929
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC NameN-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(10-oxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide
SMILESCN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN3CN4CC(=O)Nc5cccc3c54)cc1C2
InChIInChI=1S/C23H22N6O4/c1-27-22(33)26-21(32)23(27)8-13-5-6-15(7-14(13)9-23)24-18(30)10-28-12-29-11-19(31)25-16-3-2-4-17(28)20(16)29/h2-7H,8-12H2,1H3,(H,24,30)(H,25,31)(H,26,32,33)
InChIKeyVUWSJHAQMMMHSR-UHFFFAOYSA-N
XLogP0.88
TPSA114.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 50.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-(2,10-dioxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
CID 11633991
N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-[(3S)-2-oxo-3-phenylpiperidin-1-yl]acetamide
CID 25020151
2-(benzimidazol-1-yl)-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
CID 10430413
N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]-2-(9-methyl-2,10-dioxo-1,3,9-triazatricyclo[6.5.1.04,14]tetradeca-4(14),5,7-trien-3-yl)acetamide
CID 44563200
4-[3-[2-[[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]amino]-2-oxoethyl]-2-oxobenzimidazol-1-yl]butanamide
CID 44563126
2-[3-chloro-3-(iodomethyl)-2-oxo-5-phenylpiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
CID 89323770
2-[(6S)-6-(3,5-difluorophenyl)-3,3-dimethyl-2-oxopiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
CID 25144229
2-[(5S)-5-(3,5-difluorophenyl)-2,2-dimethyl-3-oxothiomorpholin-4-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
CID 25145494
2-[(3,5-difluorophenyl)methylamino]-N-[(2S)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide;hydrochloride
CID 173105900
N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(2-oxo-3-pyrimidin-5-ylbenzimidazol-1-yl)acetamide
CID 10413017
2-[(6S)-3,3-dimethyl-6-(3-methylthiophen-2-yl)-2-oxopiperidin-1-yl]-N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)acetamide
CID 25144228
2-[(3R)-3-(3,5-difluorophenyl)-5-oxothiomorpholin-4-yl]-N-[(2R)-1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl]acetamide
CID 25020208

Frequently Asked Questions

What is the IUPAC name of N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(10-oxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide?
The IUPAC name of N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(10-oxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide (CID 11575929) is N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(10-oxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide.
What is the SMILES notation for N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(10-oxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide?
The canonical SMILES for N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(10-oxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide is CN1C(=O)NC(=O)C12Cc1ccc(NC(=O)CN3CN4CC(=O)Nc5cccc3c54)cc1C2.
What is the InChIKey of N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(10-oxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide?
The InChIKey is VUWSJHAQMMMHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4/c1-27-22(33)26-21(32)23(27)8-13-5-6-15(7-14(13)9-23)24-18(30)10-28-12-29-11-19(31)25-16-3-2-4-17(28)20(16)29/h2-7H,8-12H2,1H3,(H,24,30)(H,25,31)(H,26,32,33).
What are the key properties of N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(10-oxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide?
N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(10-oxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide has a molecular weight of 446.47 g/mol, XLogP of 0.88, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1'-methyl-2',4'-dioxospiro[1,3-dihydroindene-2,5'-imidazolidine]-5-yl)-2-(10-oxo-1,3,9-triazatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-3-yl)acetamide is sourced from PubChem (CID 11575929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).