4-[(1R)-1-[8-tert-butyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide

C35H45F4N7O2 — CID 90334578

IUPAC4-[(1R)-1-[8-tert-butyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide
SMILESCC(C)(C)CC[C@H](c1ccc(C(=O)NCC2=NNNN2)cc1)N1C(=O)C(c2cc(F)cc(C(F)(F)F)c2)=NC12CCC(C(C)(C)C)CC2
InChIInChI=1S/C35H45F4N7O2/c1-32(2,3)14-13-27(21-7-9-22(10-8-21)30(47)40-20-28-42-44-45-43-28)46-31(48)29(23-17-25(35(37,38)39)19-26(36)18-23)41-34(46)15-11-24(12-16-34)33(4,5)6/h7-10,17-19,24,27,44-45H,11-16,20H2,1-6H3,(H,40,47)(H,42,43)/t24?,27-,34?/m1/s1
InChIKeyFHSFBOFPWHUTED-MTABRHERSA-N
MW671.78 g/mol
LogP6.63
Rot. Bonds8

About 4-[(1R)-1-[8-tert-butyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide

4-[(1R)-1-[8-tert-butyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide (PubChem CID 90334578) has the molecular formula C35H45F4N7O2 and a molecular weight of 671.78 g/mol. Its IUPAC name is 4-[(1R)-1-[8-tert-butyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[(1R)-1-[8-tert-butyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide
PubChem CID90334578
Molecular FormulaC35H45F4N7O2
Molecular Weight671.78 g/mol
Exact Mass671.36
IUPAC Name4-[(1R)-1-[8-tert-butyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide
SMILESCC(C)(C)CC[C@H](c1ccc(C(=O)NCC2=NNNN2)cc1)N1C(=O)C(c2cc(F)cc(C(F)(F)F)c2)=NC12CCC(C(C)(C)C)CC2
InChIInChI=1S/C35H45F4N7O2/c1-32(2,3)14-13-27(21-7-9-22(10-8-21)30(47)40-20-28-42-44-45-43-28)46-31(48)29(23-17-25(35(37,38)39)19-26(36)18-23)41-34(46)15-11-24(12-16-34)33(4,5)6/h7-10,17-19,24,27,44-45H,11-16,20H2,1-6H3,(H,40,47)(H,42,43)/t24?,27-,34?/m1/s1
InChIKeyFHSFBOFPWHUTED-MTABRHERSA-N
XLogP6.63
TPSA110.22 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500671.78
LogP ≤ 56.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-[(1R)-1-[8-tert-butyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide 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-[(1R)-1-[8-tert-butyl-2-(3-ethoxyphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide
CID 143971022
4-[(1R)-1-[2-(3,5-dichlorophenyl)-3-oxo-8-trimethylsilyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide
CID 90334596
4-[1-[8-tert-butyl-2-(3,5-difluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-[2-(methyldiazenyl)propyl]benzamide
CID 90944705
4-[(1R)-1-[8-tert-butyl-2-[4-(4-chlorophenyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]propyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide
CID 58353943
4-[(1R)-1-[8-tert-butyl-2-(2,6-dimethyl-4-pyridinyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(3H-1,2,4-triazol-5-ylmethyl)benzamide
CID 58352933
4-[1-[8-tert-butyl-2-(3,5-difluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]butyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 76730829
4-[(1R)-1-[8-tert-butyl-2-(3,5-difluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4-methylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 71243071
4-[(1S)-1-[8-tert-butyl-2-(3,5-dichlorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 53469446
4-[(1R)-1-[2-(3,5-difluorophenyl)-3-oxo-8-propyl-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 53469625
4-[(1R)-1-[8-tert-butyl-3-oxo-2-[6-(trifluoromethyl)-3-pyridinyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(3H-1,2,4-triazol-5-ylmethyl)benzamide
CID 58353113
N-(diazet-3-ylmethyl)-4-[1-[2-(3-fluorophenyl)-8-(2-methylbutan-2-yl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]benzamide
CID 90763972
4-[(1R)-1-[8-tert-butyl-2-(4-cyclopropylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2H-tetrazol-5-ylmethyl)benzamide
CID 58353128

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-[8-tert-butyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide?
The IUPAC name of 4-[(1R)-1-[8-tert-butyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide (CID 90334578) is 4-[(1R)-1-[8-tert-butyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide.
What is the SMILES notation for 4-[(1R)-1-[8-tert-butyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide?
The canonical SMILES for 4-[(1R)-1-[8-tert-butyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide is CC(C)(C)CC[C@H](c1ccc(C(=O)NCC2=NNNN2)cc1)N1C(=O)C(c2cc(F)cc(C(F)(F)F)c2)=NC12CCC(C(C)(C)C)CC2.
What is the InChIKey of 4-[(1R)-1-[8-tert-butyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide?
The InChIKey is FHSFBOFPWHUTED-MTABRHERSA-N. The full InChI is InChI=1S/C35H45F4N7O2/c1-32(2,3)14-13-27(21-7-9-22(10-8-21)30(47)40-20-28-42-44-45-43-28)46-31(48)29(23-17-25(35(37,38)39)19-26(36)18-23)41-34(46)15-11-24(12-16-34)33(4,5)6/h7-10,17-19,24,27,44-45H,11-16,20H2,1-6H3,(H,40,47)(H,42,43)/t24?,27-,34?/m1/s1.
What are the key properties of 4-[(1R)-1-[8-tert-butyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide?
4-[(1R)-1-[8-tert-butyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide has a molecular weight of 671.78 g/mol, XLogP of 6.63, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-[8-tert-butyl-2-[3-fluoro-5-(trifluoromethyl)phenyl]-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]-4,4-dimethylpentyl]-N-(2,3-dihydro-1H-tetrazol-5-ylmethyl)benzamide is sourced from PubChem (CID 90334578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).