ethyl 4-(2-fluorophenyl)-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-oxopyridine-3-carboxylate

C24H29FN2O4 — CID 175292061

IUPACethyl 4-(2-fluorophenyl)-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC2(O)CCNCC23CCCC3)c(=O)cc1-c1ccccc1F
InChIInChI=1S/C24H29FN2O4/c1-2-31-22(29)19-14-27(21(28)13-18(19)17-7-3-4-8-20(17)25)16-24(30)11-12-26-15-23(24)9-5-6-10-23/h3-4,7-8,13-14,26,30H,2,5-6,9-12,15-16H2,1H3
InChIKeyOJQGUWAYWRQPCW-UHFFFAOYSA-N
MW428.50 g/mol
LogP3.12
Rot. Bonds5

About ethyl 4-(2-fluorophenyl)-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-oxopyridine-3-carboxylate

ethyl 4-(2-fluorophenyl)-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-oxopyridine-3-carboxylate (PubChem CID 175292061) has the molecular formula C24H29FN2O4 and a molecular weight of 428.50 g/mol. Its IUPAC name is ethyl 4-(2-fluorophenyl)-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-fluorophenyl)-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-oxopyridine-3-carboxylate
PubChem CID175292061
Molecular FormulaC24H29FN2O4
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Nameethyl 4-(2-fluorophenyl)-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-oxopyridine-3-carboxylate
SMILESCCOC(=O)c1cn(CC2(O)CCNCC23CCCC3)c(=O)cc1-c1ccccc1F
InChIInChI=1S/C24H29FN2O4/c1-2-31-22(29)19-14-27(21(28)13-18(19)17-7-3-4-8-20(17)25)16-24(30)11-12-26-15-23(24)9-5-6-10-23/h3-4,7-8,13-14,26,30H,2,5-6,9-12,15-16H2,1H3
InChIKeyOJQGUWAYWRQPCW-UHFFFAOYSA-N
XLogP3.12
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 4-(2-fluorophenyl)-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-oxopyridine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-6-oxopyridine-3-carboxylate
CID 134209622
ethyl 1-[[(4S)-1-[(2R)-3-cyclobutyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-6-oxopyridine-3-carboxylate
CID 134209811
ethyl 1-[[7-(3-cyclohexyl-2-methylpropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate
CID 134209669
1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-4-phenylpyridin-2-one;hydrochloride
CID 156903452
ethyl 3-(2-fluorophenyl)-6-oxo-1H-pyridazine-5-carboxylate
CID 121205182
1-[[10-hydroxy-7-[(2R)-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 134218906
ethyl 1-[[7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-cyclopropyl-6-oxopyridine-3-carboxylate
CID 175292035
1-[[10-hydroxy-7-(4,4,4-trifluoro-3-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139346883
tert-butyl 4-[1-[[(4S)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-(2-fluorophenyl)-6-oxopyridine-3-carbonyl]piperazine-1-carboxylate
CID 139347220
1-[[7-(cyclobutanecarbonyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N-methyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 166989183
1-[[7-(2-cyclohexyloxypropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139347016
ethyl 4-chloro-1-[[5-hydroxy-1-(2-methylundecanoyloxy)-9-oxa-2-azaspiro[5.5]undecan-5-yl]methyl]-6-oxopyridine-3-carboxylate
CID 175378124

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-fluorophenyl)-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-oxopyridine-3-carboxylate?
The IUPAC name of ethyl 4-(2-fluorophenyl)-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-oxopyridine-3-carboxylate (CID 175292061) is ethyl 4-(2-fluorophenyl)-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-oxopyridine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-fluorophenyl)-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-oxopyridine-3-carboxylate?
The canonical SMILES for ethyl 4-(2-fluorophenyl)-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-oxopyridine-3-carboxylate is CCOC(=O)c1cn(CC2(O)CCNCC23CCCC3)c(=O)cc1-c1ccccc1F.
What is the InChIKey of ethyl 4-(2-fluorophenyl)-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-oxopyridine-3-carboxylate?
The InChIKey is OJQGUWAYWRQPCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29FN2O4/c1-2-31-22(29)19-14-27(21(28)13-18(19)17-7-3-4-8-20(17)25)16-24(30)11-12-26-15-23(24)9-5-6-10-23/h3-4,7-8,13-14,26,30H,2,5-6,9-12,15-16H2,1H3.
What are the key properties of ethyl 4-(2-fluorophenyl)-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-oxopyridine-3-carboxylate?
ethyl 4-(2-fluorophenyl)-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-oxopyridine-3-carboxylate has a molecular weight of 428.50 g/mol, XLogP of 3.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-fluorophenyl)-1-[(10-hydroxy-7-azaspiro[4.5]decan-10-yl)methyl]-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 175292061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).