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

C32H41F3N4O4 — CID 139346885

IUPAC1-[[(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
SMILESCC(CC(F)(F)F)C(=O)N1CC[C@](O)(Cn2cc(C(=O)N3CCN(C)CC3)c(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C32H41F3N4O4/c1-23(19-32(33,34)35)28(41)38-13-12-31(43,30(21-38)10-6-7-11-30)22-39-20-26(29(42)37-16-14-36(2)15-17-37)25(18-27(39)40)24-8-4-3-5-9-24/h3-5,8-9,18,20,23,43H,6-7,10-17,19,21-22H2,1-2H3/t23?,31-/m0/s1
InChIKeyRAHOMPVQTBYNSV-HPTWYVLESA-N
MW602.70 g/mol
LogP4.02
Rot. Bonds6

About 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

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 (PubChem CID 139346885) has the molecular formula C32H41F3N4O4 and a molecular weight of 602.70 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-[[(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
PubChem CID139346885
Molecular FormulaC32H41F3N4O4
Molecular Weight602.70 g/mol
Exact Mass602.31
IUPAC Name1-[[(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
SMILESCC(CC(F)(F)F)C(=O)N1CC[C@](O)(Cn2cc(C(=O)N3CCN(C)CC3)c(-c3ccccc3)cc2=O)C2(CCCC2)C1
InChIInChI=1S/C32H41F3N4O4/c1-23(19-32(33,34)35)28(41)38-13-12-31(43,30(21-38)10-6-7-11-30)22-39-20-26(29(42)37-16-14-36(2)15-17-37)25(18-27(39)40)24-8-4-3-5-9-24/h3-5,8-9,18,20,23,43H,6-7,10-17,19,21-22H2,1-2H3/t23?,31-/m0/s1
InChIKeyRAHOMPVQTBYNSV-HPTWYVLESA-N
XLogP4.02
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500602.70
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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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-[(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
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-[[(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
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-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-5-(4-hydroxypiperidine-1-carbonyl)-4-phenylpyridin-2-one
CID 139346973
tert-butyl 4-[1-[[1-[(2R)-3-cyclohexyl-2-methylpropanoyl]-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-6-oxo-4-phenylpyridine-3-carbonyl]piperazine-1-carboxylate
CID 139347336
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
1-[[(4R)-1-(3-cyclohexyl-2-methylpropanoyl)-4-hydroxy-3,3-dimethylpiperidin-4-yl]methyl]-4-phenyl-5-(piperazine-1-carbonyl)pyridin-2-one
CID 139347138

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(CC(F)(F)F)C(=O)N1CC[C@](O)(Cn2cc(C(=O)N3CCN(C)CC3)c(-c3ccccc3)cc2=O)C2(CCCC2)C1.
What is the InChIKey of 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?
The InChIKey is RAHOMPVQTBYNSV-HPTWYVLESA-N. The full InChI is InChI=1S/C32H41F3N4O4/c1-23(19-32(33,34)35)28(41)38-13-12-31(43,30(21-38)10-6-7-11-30)22-39-20-26(29(42)37-16-14-36(2)15-17-37)25(18-27(39)40)24-8-4-3-5-9-24/h3-5,8-9,18,20,23,43H,6-7,10-17,19,21-22H2,1-2H3/t23?,31-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 602.70 g/mol, XLogP of 4.02, 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-(4,4,4-trifluoro-2-methylbutanoyl)-7-azaspiro[4.5]decan-10-yl]methyl]-5-(4-methylpiperazine-1-carbonyl)-4-phenylpyridin-2-one is sourced from PubChem (CID 139346885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).