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

C22H26ClN5O3 — CID 122672440

IUPAC1-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide
SMILESCCNC(=O)c1ncn(C2CCC3(CC2)CCN(c2cccc(Cl)c2)C3=O)c1C(N)=O
InChIInChI=1S/C22H26ClN5O3/c1-2-25-20(30)17-18(19(24)29)28(13-26-17)15-6-8-22(9-7-15)10-11-27(21(22)31)16-5-3-4-14(23)12-16/h3-5,12-13,15H,2,6-11H2,1H3,(H2,24,29)(H,25,30)
InChIKeyPZYOXNZRUWEZBY-UHFFFAOYSA-N
MW443.94 g/mol
LogP2.92
Rot. Bonds5

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

1-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide (PubChem CID 122672440) has the molecular formula C22H26ClN5O3 and a molecular weight of 443.94 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide
PubChem CID122672440
Molecular FormulaC22H26ClN5O3
Molecular Weight443.94 g/mol
Exact Mass443.17
IUPAC Name1-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide
SMILESCCNC(=O)c1ncn(C2CCC3(CC2)CCN(c2cccc(Cl)c2)C3=O)c1C(N)=O
InChIInChI=1S/C22H26ClN5O3/c1-2-25-20(30)17-18(19(24)29)28(13-26-17)15-6-8-22(9-7-15)10-11-27(21(22)31)16-5-3-4-14(23)12-16/h3-5,12-13,15H,2,6-11H2,1H3,(H2,24,29)(H,25,30)
InChIKeyPZYOXNZRUWEZBY-UHFFFAOYSA-N
XLogP2.92
TPSA110.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.94
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2-chloro-4-fluorophenyl)-1-oxo-2-azaspiro[5.5]undecan-9-yl]-4-N-cyclopropylimidazole-4,5-dicarboxamide
CID 122672535
5-N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-cyclopropyl-1H-imidazole-4,5-dicarboxamide
CID 122679344
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
1-[2-(3-chlorophenyl)-1-oxo-2,8-diazaspiro[4.5]decan-8-yl]pentane-1,4-dione
CID 176914336
(5R,7R)-7-acetyl-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 58237139
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]-6-methylpyridine-2-carboxamide
CID 75951009
N-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122672262
(5R,7R)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one;(5S,7S)-7-amino-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 159763896
2-(3-chlorophenyl)-2,8-diazaspiro[4.5]decan-1-one;hydrochloride
CID 45074479
2-(3-chlorophenyl)-8-(2-pyrrolidin-1-ylacetyl)-2,8-diazaspiro[4.5]decan-1-one
CID 176914378
8-azido-2-(3-chlorophenyl)-2-azaspiro[4.5]decan-1-one
CID 122672568
N-[(5S,7S)-2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-7-yl]pyrazine-2-carboxamide
CID 52911751

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide?
The IUPAC name of 1-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide (CID 122672440) is 1-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide.
What is the SMILES notation for 1-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide?
The canonical SMILES for 1-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide is CCNC(=O)c1ncn(C2CCC3(CC2)CCN(c2cccc(Cl)c2)C3=O)c1C(N)=O.
What is the InChIKey of 1-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide?
The InChIKey is PZYOXNZRUWEZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN5O3/c1-2-25-20(30)17-18(19(24)29)28(13-26-17)15-6-8-22(9-7-15)10-11-27(21(22)31)16-5-3-4-14(23)12-16/h3-5,12-13,15H,2,6-11H2,1H3,(H2,24,29)(H,25,30).
What are the key properties of 1-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide?
1-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide has a molecular weight of 443.94 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)-1-oxo-2-azaspiro[4.5]decan-8-yl]-4-N-ethylimidazole-4,5-dicarboxamide is sourced from PubChem (CID 122672440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).