5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide

C23H26ClN5O3 — CID 122679344

IUPAC5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
SMILESO=C(NC1CC1)c1nc[nH]c1C(=O)NC1CCC2(CC1)CCN(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C23H26ClN5O3/c24-14-2-1-3-17(12-14)29-11-10-23(22(29)32)8-6-16(7-9-23)28-21(31)19-18(25-13-26-19)20(30)27-15-4-5-15/h1-3,12-13,15-16H,4-11H2,(H,25,26)(H,27,30)(H,28,31)
InChIKeyGIZVGVTVWOTHLW-UHFFFAOYSA-N
MW455.95 g/mol
LogP3.05
Rot. Bonds5

About 5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide

5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide (PubChem CID 122679344) has the molecular formula C23H26ClN5O3 and a molecular weight of 455.95 g/mol. Its IUPAC name is 5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
PubChem CID122679344
Molecular FormulaC23H26ClN5O3
Molecular Weight455.95 g/mol
Exact Mass455.17
IUPAC Name5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
SMILESO=C(NC1CC1)c1nc[nH]c1C(=O)NC1CCC2(CC1)CCN(c1cccc(Cl)c1)C2=O
InChIInChI=1S/C23H26ClN5O3/c24-14-2-1-3-17(12-14)29-11-10-23(22(29)32)8-6-16(7-9-23)28-21(31)19-18(25-13-26-19)20(30)27-15-4-5-15/h1-3,12-13,15-16H,4-11H2,(H,25,26)(H,27,30)(H,28,31)
InChIKeyGIZVGVTVWOTHLW-UHFFFAOYSA-N
XLogP3.05
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.95
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-5-N-(2-methoxyethyl)-1H-imidazole-4,5-dicarboxamide
CID 134538538
5-N-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679177
5-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679396
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122672262
N-[2-(2-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-[4-(4-methylpiperidin-1-yl)butanoyl]-1H-imidazole-5-carboxamide
CID 148969048
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
CID 75951009
N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide
CID 52911751
2-(3-chlorophenyl)-8-(1H-imidazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-1-one
CID 176914329
4-N-[2-(2-chloro-4,5-difluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-5-N-ethyl-1H-imidazole-4,5-dicarboxamide
CID 122679290
2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074479
5-N-[2-(2-chloro-4-fluoro-5-methylphenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-propan-2-yl-1H-imidazole-4,5-dicarboxamide
CID 122679391
1-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide
CID 122672440

Frequently Asked Questions

What is the IUPAC name of 5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide?
The IUPAC name of 5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide (CID 122679344) is 5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide.
What is the SMILES notation for 5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide?
The canonical SMILES for 5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide is O=C(NC1CC1)c1nc[nH]c1C(=O)NC1CCC2(CC1)CCN(c1cccc(Cl)c1)C2=O.
What is the InChIKey of 5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide?
The InChIKey is GIZVGVTVWOTHLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN5O3/c24-14-2-1-3-17(12-14)29-11-10-23(22(29)32)8-6-16(7-9-23)28-21(31)19-18(25-13-26-19)20(30)27-15-4-5-15/h1-3,12-13,15-16H,4-11H2,(H,25,26)(H,27,30)(H,28,31).
What are the key properties of 5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide?
5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide has a molecular weight of 455.95 g/mol, XLogP of 3.05, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide is sourced from PubChem (CID 122679344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).