CID 58353423

C28H32FN3O2 — CID 58353423

IUPAC—
SMILES[CH]CNC(=O)c1ccc(CN2C(=O)C(c3ccc(F)cc3)=NC23CCC(C(C)(C)C)CC3)cc1
InChIInChI=1S/C28H32FN3O2/c1-5-30-25(33)21-8-6-19(7-9-21)18-32-26(34)24(20-10-12-23(29)13-11-20)31-28(32)16-14-22(15-17-28)27(2,3)4/h1,6-13,22H,5,14-18H2,2-4H3,(H,30,33)
InChIKeyHZGNVPWYHAVACY-UHFFFAOYSA-N
MW461.58 g/mol
LogP5.03
Rot. Bonds5

About CID 58353423

CID 58353423 (PubChem CID 58353423) has the molecular formula C28H32FN3O2 and a molecular weight of 461.58 g/mol.

Molecular Properties

Compound NameCID 58353423
PubChem CID58353423
Molecular FormulaC28H32FN3O2
Molecular Weight461.58 g/mol
Exact Mass461.25
IUPAC Name—
SMILES[CH]CNC(=O)c1ccc(CN2C(=O)C(c3ccc(F)cc3)=NC23CCC(C(C)(C)C)CC3)cc1
InChIInChI=1S/C28H32FN3O2/c1-5-30-25(33)21-8-6-19(7-9-21)18-32-26(34)24(20-10-12-23(29)13-11-20)31-28(32)16-14-22(15-17-28)27(2,3)4/h1,6-13,22H,5,14-18H2,2-4H3,(H,30,33)
InChIKeyHZGNVPWYHAVACY-UHFFFAOYSA-N
XLogP5.03
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.58
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Spiroimidazolone derivative 7
CID 53467170
N-[[1-[6,6-bis(4-fluorophenyl)hexanoyl]pyrrolidin-3-yl]methyl]-4-tert-butylbenzamide
CID 11226573
3-[[4-[(1R)-1-(8-tert-butyl-3-oxo-2-phenyl-1,4-diazaspiro[4.5]dec-1-en-4-yl)ethyl]benzoyl]amino]propanoic acid
CID 58352834
3-[[4-[[8-Tert-butyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]methyl]benzoyl]amino]propanoic acid
CID 58352836
3-[[4-[(1R)-1-[8-tert-butyl-2-(3-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]ethyl]benzoyl]amino]propanoic acid
CID 58352858
3-[[4-[(1R)-1-[8-tert-butyl-2-(4-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]ethyl]benzoyl]amino]propanoic acid
CID 58352863
3-[[4-[(1R)-1-[8-tert-butyl-2-(3-cyclopropylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]ethyl]benzoyl]amino]propanoic acid
CID 58352925
3-[[4-[(1R)-1-[8-tert-butyl-3-oxo-2-[3-(trifluoromethyl)phenyl]-1,4-diazaspiro[4.5]dec-1-en-4-yl]ethyl]benzoyl]amino]propanoic acid
CID 58352940
3-[[4-[(1R)-1-[8-tert-butyl-2-(5-chloro-2-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]ethyl]benzoyl]amino]propanoic acid
CID 58353025
3-[[4-[(1R)-1-[8-tert-butyl-2-(3-chloro-5-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]ethyl]benzoyl]amino]propanoic acid
CID 58353063
3-[[4-[(1R)-1-[8-tert-butyl-2-(3-chloro-2-fluorophenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]ethyl]benzoyl]amino]propanoic acid
CID 58353350
3-[[4-[(1R)-1-[8-tert-butyl-2-(3-methylphenyl)-3-oxo-1,4-diazaspiro[4.5]dec-1-en-4-yl]ethyl]benzoyl]amino]propanoic acid
CID 58353369

Frequently Asked Questions

What is the IUPAC name of CID 58353423?
The IUPAC name of CID 58353423 (CID 58353423) is not available.
What is the SMILES notation for CID 58353423?
The canonical SMILES for CID 58353423 is [CH]CNC(=O)c1ccc(CN2C(=O)C(c3ccc(F)cc3)=NC23CCC(C(C)(C)C)CC3)cc1.
What is the InChIKey of CID 58353423?
The InChIKey is HZGNVPWYHAVACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32FN3O2/c1-5-30-25(33)21-8-6-19(7-9-21)18-32-26(34)24(20-10-12-23(29)13-11-20)31-28(32)16-14-22(15-17-28)27(2,3)4/h1,6-13,22H,5,14-18H2,2-4H3,(H,30,33).
What are the key properties of CID 58353423?
CID 58353423 has a molecular weight of 461.58 g/mol, XLogP of 5.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58353423 is sourced from PubChem (CID 58353423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).