1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one

C34H45FN4O4 — CID 134211724

IUPAC1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one
SMILESC[C@H](CC1CCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3F)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C34H45FN4O4/c1-24(19-25-7-6-8-25)31(41)38-16-13-34(43,33(22-38)11-4-5-12-33)23-39-21-28(32(42)37-17-14-36-15-18-37)27(20-30(39)40)26-9-2-3-10-29(26)35/h2-3,9-10,20-21,24-25,36,43H,4-8,11-19,22-23H2,1H3/t24-,34-/m1/s1
InChIKeyVYXDVPIIPAZIGS-PBUKZNKTSA-N
MW592.76 g/mol
LogP4.05
Rot. Bonds7

About 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one

1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one (PubChem CID 134211724) has the molecular formula C34H45FN4O4 and a molecular weight of 592.76 g/mol. Its IUPAC name is 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one.

Molecular Properties

Compound Name1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one
PubChem CID134211724
Molecular FormulaC34H45FN4O4
Molecular Weight592.76 g/mol
Exact Mass592.34
IUPAC Name1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one
SMILESC[C@H](CC1CCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3F)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C34H45FN4O4/c1-24(19-25-7-6-8-25)31(41)38-16-13-34(43,33(22-38)11-4-5-12-33)23-39-21-28(32(42)37-17-14-36-15-18-37)27(20-30(39)40)26-9-2-3-10-29(26)35/h2-3,9-10,20-21,24-25,36,43H,4-8,11-19,22-23H2,1H3/t24-,34-/m1/s1
InChIKeyVYXDVPIIPAZIGS-PBUKZNKTSA-N
XLogP4.05
TPSA94.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500592.76
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one with MolForge

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Related Compounds

US11053213, Example 229
CID 134218513
US11053213, Example 249
CID 134209645
1-{[(4S)-1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl}-4-(2-fluorophenyl)-N,N-dimethyl-6-oxo-1,6-dihydropyridine-3-carboxamide
CID 134209667
US11053213, Example 213
CID 134209704
US11053213, Example 222
CID 134209719
US11053213, Example 226
CID 134209741
US11053213, Example 214
CID 134209839
US11053213, Example 227
CID 134209976
US11053213, Example 206
CID 134210296
US11053213, Example 211
CID 134211134
US11053213, Example 218
CID 134218506
US11053213, Example 216
CID 134218511

Frequently Asked Questions

What is the IUPAC name of 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one?
The IUPAC name of 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one (CID 134211724) is 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one.
What is the SMILES notation for 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one?
The canonical SMILES for 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one is C[C@H](CC1CCC1)C(=O)N1CC[C@@](O)(Cn2cc(C(=O)N3CCNCC3)c(-c3ccccc3F)cc2=O)C2(CCCC2)C1.
What is the InChIKey of 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one?
The InChIKey is VYXDVPIIPAZIGS-PBUKZNKTSA-N. The full InChI is InChI=1S/C34H45FN4O4/c1-24(19-25-7-6-8-25)31(41)38-16-13-34(43,33(22-38)11-4-5-12-33)23-39-21-28(32(42)37-17-14-36-15-18-37)27(20-30(39)40)26-9-2-3-10-29(26)35/h2-3,9-10,20-21,24-25,36,43H,4-8,11-19,22-23H2,1H3/t24-,34-/m1/s1.
What are the key properties of 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one?
1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one has a molecular weight of 592.76 g/mol, XLogP of 4.05, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(10S)-7-[(2R)-3-cyclobutyl-2-methylpropanoyl]-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-4-(2-fluorophenyl)-5-(piperazine-1-carbonyl)pyridin-2-one is sourced from PubChem (CID 134211724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).