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

C34H45FN2O5 — CID 134209622

About 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

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 (PubChem CID 134209622) has the molecular formula C34H45FN2O5 and a molecular weight of 580.74 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]-4-(2-fluorophenyl)-6-oxopyridine-3-carboxylate.

Molecular Properties

• Compound Name: 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
• PubChem CID: 134209622
• Molecular Formula: C34H45FN2O5
• Molecular Weight: 580.74 g/mol
• Exact Mass: 580.33
• IUPAC Name: 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
• SMILES: CCOC(=O)c1cn(C[C@]2(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC23CCCC3)c(=O)cc1-c1ccccc1F
• InChI: InChI=1S/C34H45FN2O5/c1-3-42-32(40)28-21-37(30(38)20-27(28)26-13-7-8-14-29(26)35)23-34(41)17-18-36(22-33(34)15-9-10-16-33)31(39)24(2)19-25-11-5-4-6-12-25/h7-8,13-14,20-21,24-25,41H,3-6,9-12,15-19,22-23H2,1-2H3/t24-,34-/m1/s1
• InChIKey: UDVDDQHEQQSCPG-PBUKZNKTSA-N
• XLogP: 5.96
• TPSA: 88.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	580.74
LogP ≤ 5	5.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

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]-4-(2-fluorophenyl)-6-oxopyridine-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]-4-(2-fluorophenyl)-6-oxopyridine-3-carboxylate (CID 134209622) is 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.

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]-4-(2-fluorophenyl)-6-oxopyridine-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]-4-(2-fluorophenyl)-6-oxopyridine-3-carboxylate is CCOC(=O)c1cn(C[C@]2(O)CCN(C(=O)[C@H](C)CC3CCCCC3)CC23CCCC3)c(=O)cc1-c1ccccc1F.

What is the InChIKey of 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?

The InChIKey is UDVDDQHEQQSCPG-PBUKZNKTSA-N. The full InChI is InChI=1S/C34H45FN2O5/c1-3-42-32(40)28-21-37(30(38)20-27(28)26-13-7-8-14-29(26)35)23-34(41)17-18-36(22-33(34)15-9-10-16-33)31(39)24(2)19-25-11-5-4-6-12-25/h7-8,13-14,20-21,24-25,41H,3-6,9-12,15-19,22-23H2,1-2H3/t24-,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]-4-(2-fluorophenyl)-6-oxopyridine-3-carboxylate?

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 has a molecular weight of 580.74 g/mol, XLogP of 5.96, 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]-4-(2-fluorophenyl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 134209622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).