4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-N-oxobenzamide

C31H32F3N5O5 — CID 88586506

IUPAC4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-N-oxobenzamide
SMILESO=NC(=O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4ccc(OC(F)(F)F)cc4)CC3)OC2=O)cc1
InChIInChI=1S/C31H32F3N5O5/c32-31(33,34)43-26-12-8-21(9-13-26)27-23(19-39(35-27)25-4-2-1-3-5-25)18-37-16-14-30(15-17-37)20-38(29(41)44-30)24-10-6-22(7-11-24)28(40)36-42/h6-13,19,25H,1-5,14-18,20H2
InChIKeyXLNJDKRFFBKYKA-UHFFFAOYSA-N
MW611.62 g/mol
LogP6.85
Rot. Bonds7

About 4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-N-oxobenzamide

4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-N-oxobenzamide (PubChem CID 88586506) has the molecular formula C31H32F3N5O5 and a molecular weight of 611.62 g/mol. Its IUPAC name is 4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-N-oxobenzamide.

Molecular Properties

Compound Name4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-N-oxobenzamide
PubChem CID88586506
Molecular FormulaC31H32F3N5O5
Molecular Weight611.62 g/mol
Exact Mass611.24
IUPAC Name4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-N-oxobenzamide
SMILESO=NC(=O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4ccc(OC(F)(F)F)cc4)CC3)OC2=O)cc1
InChIInChI=1S/C31H32F3N5O5/c32-31(33,34)43-26-12-8-21(9-13-26)27-23(19-39(35-27)25-4-2-1-3-5-25)18-37-16-14-30(15-17-37)20-38(29(41)44-30)24-10-6-22(7-11-24)28(40)36-42/h6-13,19,25H,1-5,14-18,20H2
InChIKeyXLNJDKRFFBKYKA-UHFFFAOYSA-N
XLogP6.85
TPSA106.33 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.62
LogP ≤ 56.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-N-oxobenzamide 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

4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 66765470
9-[[1-tert-butyl-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-3-phenyl-1-oxa-3,9-diazaspiro[4.6]undecan-2-one;carbon dioxide
CID 157225919
4-[8-[[1-tert-butyl-3-(2,4,5-trifluorophenyl)pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 86766029
4-[8-[[5-chloro-4-methyl-2-[6-(trifluoromethyl)-3-pyridinyl]phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 86766064
3-benzyl-8-[[4-(trifluoromethoxy)phenyl]methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 11993277
4-[8-[[1-(2,2-dimethylpropyl)-6-methoxyindazol-3-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 86766069
8-benzyl-2-[4-(trifluoromethoxy)phenyl]-2,8-diazaspiro[4.5]decan-1-one
CID 53233981
4-[8-[(7-chloro-1-propan-2-ylindol-3-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 66765066
4-[8-[(3-bromo-4-chlorophenyl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 66765402
4-[8-[[5-ethoxy-4-methyl-2-(2,4,5-trifluorophenyl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 56848227
4-[8-[(8-fluoro-4,4-dimethyl-2,3,4a,8a-tetrahydrochromen-6-yl)methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 123410178
4-[8-[[5-ethoxy-4-methyl-2-(4-methylpyrazol-1-yl)phenyl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]benzoic acid
CID 66765305

Frequently Asked Questions

What is the IUPAC name of 4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-N-oxobenzamide?
The IUPAC name of 4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-N-oxobenzamide (CID 88586506) is 4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-N-oxobenzamide.
What is the SMILES notation for 4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-N-oxobenzamide?
The canonical SMILES for 4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-N-oxobenzamide is O=NC(=O)c1ccc(N2CC3(CCN(Cc4cn(C5CCCCC5)nc4-c4ccc(OC(F)(F)F)cc4)CC3)OC2=O)cc1.
What is the InChIKey of 4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-N-oxobenzamide?
The InChIKey is XLNJDKRFFBKYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32F3N5O5/c32-31(33,34)43-26-12-8-21(9-13-26)27-23(19-39(35-27)25-4-2-1-3-5-25)18-37-16-14-30(15-17-37)20-38(29(41)44-30)24-10-6-22(7-11-24)28(40)36-42/h6-13,19,25H,1-5,14-18,20H2.
What are the key properties of 4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-N-oxobenzamide?
4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-N-oxobenzamide has a molecular weight of 611.62 g/mol, XLogP of 6.85, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[[1-cyclohexyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]methyl]-2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-3-yl]-N-oxobenzamide is sourced from PubChem (CID 88586506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).