1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one

C31H38F3N3O5 — CID 139347103

IUPAC1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one
SMILESC[C@H](CC(F)(F)F)C(=O)N1CC[C@](O)(Cn2cc(C(=O)N3CCOCC3)c(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C31H38F3N3O5/c1-22(18-31(32,33)34)27(39)36-12-11-30(41,29(20-36)9-5-6-10-29)21-37-19-25(28(40)35-13-15-42-16-14-35)24(17-26(37)38)23-7-3-2-4-8-23/h2-4,7-8,17,19,22,41H,5-6,9-16,18,20-21H2,1H3/t22-,30+/m1/s1
InChIKeyDOGWKLCUZRKLRL-RCRUUEGKSA-N
MW589.66 g/mol
LogP4.10
Rot. Bonds6

About 1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one

1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one (PubChem CID 139347103) has the molecular formula C31H38F3N3O5 and a molecular weight of 589.66 g/mol. Its IUPAC name is 1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one.

Molecular Properties

Compound Name1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one
PubChem CID139347103
Molecular FormulaC31H38F3N3O5
Molecular Weight589.66 g/mol
Exact Mass589.28
IUPAC Name1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one
SMILESC[C@H](CC(F)(F)F)C(=O)N1CC[C@](O)(Cn2cc(C(=O)N3CCOCC3)c(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C31H38F3N3O5/c1-22(18-31(32,33)34)27(39)36-12-11-30(41,29(20-36)9-5-6-10-29)21-37-19-25(28(40)35-13-15-42-16-14-35)24(17-26(37)38)23-7-3-2-4-8-23/h2-4,7-8,17,19,22,41H,5-6,9-16,18,20-21H2,1H3/t22-,30+/m1/s1
InChIKeyDOGWKLCUZRKLRL-RCRUUEGKSA-N
XLogP4.10
TPSA92.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500589.66
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-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

1-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one
CID 139347106
1-[[(10R)-10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-5-(4-methylpiperazine-1-carbonyl)-4-phenylpyridin-2-one
CID 139346885
1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139347160
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
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
1-[[10-hydroxy-7-(2-methyl-3-piperidin-1-ylpropanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 134218548
1-[[(5S)-2-[(2R)-3-cyclohexyl-2-methylpropanoyl]-5-hydroxy-9-oxa-2-azaspiro[5.5]undecan-5-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 166633395
1-[[4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one
CID 134218882
1-[[(4R)-4-hydroxy-3,3-dimethyl-1-[4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoyl]piperidin-4-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139346894
4-[[10-hydroxy-7-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]morpholin-3-one
CID 139370296
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-[[7-(2-cyclohexyloxypropanoyl)-10-hydroxy-7-azaspiro[4.5]decan-10-yl]methyl]-N,N-dimethyl-6-oxo-4-phenylpyridine-3-carboxamide
CID 139347016

Frequently Asked Questions

What is the IUPAC name of 1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one?
The IUPAC name of 1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one (CID 139347103) is 1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one.
What is the SMILES notation for 1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one?
The canonical SMILES for 1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one is C[C@H](CC(F)(F)F)C(=O)N1CC[C@](O)(Cn2cc(C(=O)N3CCOCC3)c(-c3ccccc3)cc2=O)C2(CCCC2)C1.
What is the InChIKey of 1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one?
The InChIKey is DOGWKLCUZRKLRL-RCRUUEGKSA-N. The full InChI is InChI=1S/C31H38F3N3O5/c1-22(18-31(32,33)34)27(39)36-12-11-30(41,29(20-36)9-5-6-10-29)21-37-19-25(28(40)35-13-15-42-16-14-35)24(17-26(37)38)23-7-3-2-4-8-23/h2-4,7-8,17,19,22,41H,5-6,9-16,18,20-21H2,1H3/t22-,30+/m1/s1.
What are the key properties of 1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one?
1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one has a molecular weight of 589.66 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(10R)-10-hydroxy-7-[(2R)-4,4,4-trifluoro-2-methylbutanoyl]-7-azaspiro[4.5]decan-10-yl]methyl]-5-(morpholine-4-carbonyl)-4-phenylpyridin-2-one is sourced from PubChem (CID 139347103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).