CID 174027638

C25H23ClFN4O4Si — CID 174027638

IUPAC—
SMILESO=C1CC[C@H](N2Cc3cc(C(=O)N[C@H](c4ncccc4Cl)C4(F)CCC4)ccc3C2=O)C([Si])C(=O)N1
InChIInChI=1S/C25H23ClFN4O4Si/c26-16-3-1-10-28-19(16)21(25(27)8-2-9-25)30-22(33)13-4-5-15-14(11-13)12-31(24(15)35)17-6-7-18(32)29-23(34)20(17)36/h1,3-5,10-11,17,20-21H,2,6-9,12H2,(H,30,33)(H,29,32,34)/t17-,20?,21+/m0/s1
InChIKeyWCSGUVUXXLROKV-ADFYKPTQSA-N
MW526.02 g/mol
LogP2.82
Rot. Bonds5

About CID 174027638

CID 174027638 (PubChem CID 174027638) has the molecular formula C25H23ClFN4O4Si and a molecular weight of 526.02 g/mol.

Molecular Properties

Compound NameCID 174027638
PubChem CID174027638
Molecular FormulaC25H23ClFN4O4Si
Molecular Weight526.02 g/mol
Exact Mass525.12
IUPAC Name—
SMILESO=C1CC[C@H](N2Cc3cc(C(=O)N[C@H](c4ncccc4Cl)C4(F)CCC4)ccc3C2=O)C([Si])C(=O)N1
InChIInChI=1S/C25H23ClFN4O4Si/c26-16-3-1-10-28-19(16)21(25(27)8-2-9-25)30-22(33)13-4-5-15-14(11-13)12-31(24(15)35)17-6-7-18(32)29-23(34)20(17)36/h1,3-5,10-11,17,20-21H,2,6-9,12H2,(H,30,33)(H,29,32,34)/t17-,20?,21+/m0/s1
InChIKeyWCSGUVUXXLROKV-ADFYKPTQSA-N
XLogP2.82
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.02
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

CID 174027663
CID 174027663
2-[(3S)-2,6-dioxopiperidin-3-yl]-N-[(R)-(1-fluorocyclopropyl)-(3-fluoro-2-pyridinyl)methyl]-1-oxo-3H-isoindole-5-carboxamide
CID 167230778
N-[(1S)-1-(3-chloro-2-pyridinyl)ethyl]-2-[(1S)-2,4-dioxocyclohexyl]-1-oxo-3H-isoindole-5-carboxamide
CID 157176860
N-[(S)-(3-chloro-5-fluoro-2-pyridinyl)-cyclobutylmethyl]-2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide
CID 167230602
N-[1-(3-chloro-5-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338858
N-[(R)-cyclohexyl(pyridin-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 167230253
N-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338954
N-[(1R)-1-(5-chloro-3-fluoro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-[(3R)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindole-5-carboxamide
CID 175712709
N-[(S)-cyclodecyl(cyclononyl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 167231206
2-(2,6-dioxopiperidin-3-yl)-N-(3-methylbutan-2-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338775
N-[1-(5-chloro-2-pyridinyl)-2,2,2-trifluoroethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338810
N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155339091

Frequently Asked Questions

What is the IUPAC name of CID 174027638?
The IUPAC name of CID 174027638 (CID 174027638) is not available.
What is the SMILES notation for CID 174027638?
The canonical SMILES for CID 174027638 is O=C1CC[C@H](N2Cc3cc(C(=O)N[C@H](c4ncccc4Cl)C4(F)CCC4)ccc3C2=O)C([Si])C(=O)N1.
What is the InChIKey of CID 174027638?
The InChIKey is WCSGUVUXXLROKV-ADFYKPTQSA-N. The full InChI is InChI=1S/C25H23ClFN4O4Si/c26-16-3-1-10-28-19(16)21(25(27)8-2-9-25)30-22(33)13-4-5-15-14(11-13)12-31(24(15)35)17-6-7-18(32)29-23(34)20(17)36/h1,3-5,10-11,17,20-21H,2,6-9,12H2,(H,30,33)(H,29,32,34)/t17-,20?,21+/m0/s1.
What are the key properties of CID 174027638?
CID 174027638 has a molecular weight of 526.02 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174027638 is sourced from PubChem (CID 174027638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).