ethyl 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate

C34H46N2O5 — CID 134210281

IUPACethyl 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cn(C[C@]2(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC23CCCC3)c(=O)cc1-c1ccccc1
InChIInChI=1S/C34H46N2O5/c1-3-41-32(39)29-22-36(30(37)21-28(29)27-14-8-5-9-15-27)24-34(40)18-19-35(23-33(34)16-10-11-17-33)31(38)25(2)20-26-12-6-4-7-13-26/h5,8-9,14-15,21-22,25-26,40H,3-4,6-7,10-13,16-20,23-24H2,1-2H3/t25-,34-/m1/s1
InChIKeyOZVZHIFFUVLAST-QCBOHVIISA-N
MW562.75 g/mol
LogP5.82
Rot. Bonds8

About ethyl 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate

ethyl 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate (PubChem CID 134210281) has the molecular formula C34H46N2O5 and a molecular weight of 562.75 g/mol. Its IUPAC name is ethyl 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate
PubChem CID134210281
Molecular FormulaC34H46N2O5
Molecular Weight562.75 g/mol
Exact Mass562.34
IUPAC Nameethyl 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate
SMILESCCOC(=O)c1cn(C[C@]2(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC23CCCC3)c(=O)cc1-c1ccccc1
InChIInChI=1S/C34H46N2O5/c1-3-41-32(39)29-22-36(30(37)21-28(29)27-14-8-5-9-15-27)24-34(40)18-19-35(23-33(34)16-10-11-17-33)31(38)25(2)20-26-12-6-4-7-13-26/h5,8-9,14-15,21-22,25-26,40H,3-4,6-7,10-13,16-20,23-24H2,1-2H3/t25-,34-/m1/s1
InChIKeyOZVZHIFFUVLAST-QCBOHVIISA-N
XLogP5.82
TPSA88.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.75
LogP ≤ 55.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate?
The IUPAC name of ethyl 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate (CID 134210281) is ethyl 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate?
The canonical SMILES for ethyl 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate is CCOC(=O)c1cn(C[C@]2(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC23CCCC3)c(=O)cc1-c1ccccc1.
What is the InChIKey of ethyl 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate?
The InChIKey is OZVZHIFFUVLAST-QCBOHVIISA-N. The full InChI is InChI=1S/C34H46N2O5/c1-3-41-32(39)29-22-36(30(37)21-28(29)27-14-8-5-9-15-27)24-34(40)18-19-35(23-33(34)16-10-11-17-33)31(38)25(2)20-26-12-6-4-7-13-26/h5,8-9,14-15,21-22,25-26,40H,3-4,6-7,10-13,16-20,23-24H2,1-2H3/t25-,34-/m1/s1.
What are the key properties of ethyl 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate?
ethyl 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate has a molecular weight of 562.75 g/mol, XLogP of 5.82, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[(10S)-7-[(2R)-3-cyclohexyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-6-oxo-4-phenylpyridine-3-carboxylate is sourced from PubChem (CID 134210281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).