8-[2-[(Z)-1-(4-fluorophenyl)-1-imino-4-methylpent-2-en-3-yl]-1H-imidazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C23H26FN5O3 — CID 137085484

IUPAC8-[2-[(Z)-1-(4-fluorophenyl)-1-imino-4-methylpent-2-en-3-yl]-1H-imidazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C(/C=C(\c1ncc(C(=O)N2CCC3(CC2)CNC(=O)O3)[nH]1)C(C)C)c1ccc(F)cc1
InChIInChI=1S/C23H26FN5O3/c1-14(2)17(11-18(25)15-3-5-16(24)6-4-15)20-26-12-19(28-20)21(30)29-9-7-23(8-10-29)13-27-22(31)32-23/h3-6,11-12,14,25H,7-10,13H2,1-2H3,(H,26,28)(H,27,31)/b17-11-,25-18-
InChIKeyJUPGWLMWBNLRKY-IRMKFNPISA-N
MW439.49 g/mol
LogP3.37
Rot. Bonds5

About 8-[2-[(Z)-1-(4-fluorophenyl)-1-imino-4-methylpent-2-en-3-yl]-1H-imidazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-[2-[(Z)-1-(4-fluorophenyl)-1-imino-4-methylpent-2-en-3-yl]-1H-imidazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 137085484) has the molecular formula C23H26FN5O3 and a molecular weight of 439.49 g/mol. Its IUPAC name is 8-[2-[(Z)-1-(4-fluorophenyl)-1-imino-4-methylpent-2-en-3-yl]-1H-imidazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-[2-[(Z)-1-(4-fluorophenyl)-1-imino-4-methylpent-2-en-3-yl]-1H-imidazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID137085484
Molecular FormulaC23H26FN5O3
Molecular Weight439.49 g/mol
Exact Mass439.20
IUPAC Name8-[2-[(Z)-1-(4-fluorophenyl)-1-imino-4-methylpent-2-en-3-yl]-1H-imidazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C(/C=C(\c1ncc(C(=O)N2CCC3(CC2)CNC(=O)O3)[nH]1)C(C)C)c1ccc(F)cc1
InChIInChI=1S/C23H26FN5O3/c1-14(2)17(11-18(25)15-3-5-16(24)6-4-15)20-26-12-19(28-20)21(30)29-9-7-23(8-10-29)13-27-22(31)32-23/h3-6,11-12,14,25H,7-10,13H2,1-2H3,(H,26,28)(H,27,31)/b17-11-,25-18-
InChIKeyJUPGWLMWBNLRKY-IRMKFNPISA-N
XLogP3.37
TPSA111.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.49
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 8-[2-[(Z)-1-(4-fluorophenyl)-1-imino-4-methylpent-2-en-3-yl]-1H-imidazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one 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

[4-(1-aminocyclobutanecarbonyl)-3-methylpiperazin-1-yl]-[2-[(Z)-1-(4-fluorophenyl)-1-imino-4-methylpent-2-en-3-yl]-1H-imidazol-5-yl]methanone
CID 137158332
3-cyclobutyl-1-(4-methylpiperazin-1-yl)propan-1-one;2-[(Z)-1-(4-fluorophenyl)-1-imino-4-methylpent-2-en-3-yl]-1H-imidazole-5-carbaldehyde
CID 144817762
tert-butyl 3-oxo-7-[2-[(E)-1,1,1-trifluoro-4-(4-fluorophenyl)-4-iminobut-2-en-2-yl]-1H-imidazole-5-carbonyl]-5,6,8,8a-tetrahydro-2H-imidazo[1,2-a]pyrazine-1-carboxylate
CID 137118073
7-[2-[(Z)-1-cyclopropyl-3-(4-fluorophenyl)-3-iminoprop-1-enyl]-1H-imidazole-5-carbonyl]-2-(2,2-dimethylpropyl)-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,2-a]pyrazin-3-one
CID 137035437
8-(4-iodobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 147984267
8-(pyridine-3-carbonyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668803
2-[(Z)-1-(4-fluorophenyl)-1-imino-4,4-dimethylpent-2-en-3-yl]-1H-imidazole-5-carbaldehyde;(2-methyl-1H-imidazol-5-yl)-(3,3,4-trimethylpiperazin-1-yl)methanone
CID 144817294
(5R)-9-[1-(4-fluorophenyl)-3,5-dimethylpyrazole-4-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95717146
9-(3-fluoro-5-imidazo[1,2-a]pyrimidin-6-ylbenzoyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 169416061
8-(2-chlorobenzoyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 110668800
8-[2-(4-fluorophenyl)quinoline-4-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 119065991
(5S)-9-(3-methyl-4-oxoquinazoline-7-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724265

Frequently Asked Questions

What is the IUPAC name of 8-[2-[(Z)-1-(4-fluorophenyl)-1-imino-4-methylpent-2-en-3-yl]-1H-imidazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-[2-[(Z)-1-(4-fluorophenyl)-1-imino-4-methylpent-2-en-3-yl]-1H-imidazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 137085484) is 8-[2-[(Z)-1-(4-fluorophenyl)-1-imino-4-methylpent-2-en-3-yl]-1H-imidazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-[2-[(Z)-1-(4-fluorophenyl)-1-imino-4-methylpent-2-en-3-yl]-1H-imidazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-[2-[(Z)-1-(4-fluorophenyl)-1-imino-4-methylpent-2-en-3-yl]-1H-imidazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is [H]/N=C(/C=C(\c1ncc(C(=O)N2CCC3(CC2)CNC(=O)O3)[nH]1)C(C)C)c1ccc(F)cc1.
What is the InChIKey of 8-[2-[(Z)-1-(4-fluorophenyl)-1-imino-4-methylpent-2-en-3-yl]-1H-imidazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is JUPGWLMWBNLRKY-IRMKFNPISA-N. The full InChI is InChI=1S/C23H26FN5O3/c1-14(2)17(11-18(25)15-3-5-16(24)6-4-15)20-26-12-19(28-20)21(30)29-9-7-23(8-10-29)13-27-22(31)32-23/h3-6,11-12,14,25H,7-10,13H2,1-2H3,(H,26,28)(H,27,31)/b17-11-,25-18-.
What are the key properties of 8-[2-[(Z)-1-(4-fluorophenyl)-1-imino-4-methylpent-2-en-3-yl]-1H-imidazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-[2-[(Z)-1-(4-fluorophenyl)-1-imino-4-methylpent-2-en-3-yl]-1H-imidazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 439.49 g/mol, XLogP of 3.37, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-[(Z)-1-(4-fluorophenyl)-1-imino-4-methylpent-2-en-3-yl]-1H-imidazole-5-carbonyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 137085484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).