CID 174027663

C24H21ClFN4O4Si — CID 174027663

IUPAC—
SMILESO=C1CC[C@H](N2Cc3cc(C(=O)N[C@H](c4ncccc4Cl)C4(F)CC4)ccc3C2=O)C([Si])C(=O)N1
InChIInChI=1S/C24H21ClFN4O4Si/c25-15-2-1-9-27-18(15)20(24(26)7-8-24)29-21(32)12-3-4-14-13(10-12)11-30(23(14)34)16-5-6-17(31)28-22(33)19(16)35/h1-4,9-10,16,19-20H,5-8,11H2,(H,29,32)(H,28,31,33)/t16-,19?,20+/m0/s1
InChIKeyIJWCDZBQLASQIN-OOFVQCGSSA-N
MW511.99 g/mol
LogP2.43
Rot. Bonds5

About CID 174027663

CID 174027663 (PubChem CID 174027663) has the molecular formula C24H21ClFN4O4Si and a molecular weight of 511.99 g/mol.

Molecular Properties

Compound NameCID 174027663
PubChem CID174027663
Molecular FormulaC24H21ClFN4O4Si
Molecular Weight511.99 g/mol
Exact Mass511.10
IUPAC Name—
SMILESO=C1CC[C@H](N2Cc3cc(C(=O)N[C@H](c4ncccc4Cl)C4(F)CC4)ccc3C2=O)C([Si])C(=O)N1
InChIInChI=1S/C24H21ClFN4O4Si/c25-15-2-1-9-27-18(15)20(24(26)7-8-24)29-21(32)12-3-4-14-13(10-12)11-30(23(14)34)16-5-6-17(31)28-22(33)19(16)35/h1-4,9-10,16,19-20H,5-8,11H2,(H,29,32)(H,28,31,33)/t16-,19?,20+/m0/s1
InChIKeyIJWCDZBQLASQIN-OOFVQCGSSA-N
XLogP2.43
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.99
LogP ≤ 52.43
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'}

Analyze CID 174027663 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

CID 174027638
CID 174027638
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-[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-[(1S)-1-(2-chloro-4-fluorophenyl)ethyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 155338954
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-[(R)-cyclohexyl(pyridin-2-yl)methyl]-2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindole-5-carboxamide
CID 167230253
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
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
2-(2,6-dioxopiperidin-3-yl)-1-oxo-N-[(1R)-2,2,2-trifluoro-1-phenylethyl]-3H-isoindole-5-carboxamide
CID 155338677

Frequently Asked Questions

What is the IUPAC name of CID 174027663?
The IUPAC name of CID 174027663 (CID 174027663) is not available.
What is the SMILES notation for CID 174027663?
The canonical SMILES for CID 174027663 is O=C1CC[C@H](N2Cc3cc(C(=O)N[C@H](c4ncccc4Cl)C4(F)CC4)ccc3C2=O)C([Si])C(=O)N1.
What is the InChIKey of CID 174027663?
The InChIKey is IJWCDZBQLASQIN-OOFVQCGSSA-N. The full InChI is InChI=1S/C24H21ClFN4O4Si/c25-15-2-1-9-27-18(15)20(24(26)7-8-24)29-21(32)12-3-4-14-13(10-12)11-30(23(14)34)16-5-6-17(31)28-22(33)19(16)35/h1-4,9-10,16,19-20H,5-8,11H2,(H,29,32)(H,28,31,33)/t16-,19?,20+/m0/s1.
What are the key properties of CID 174027663?
CID 174027663 has a molecular weight of 511.99 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174027663 is sourced from PubChem (CID 174027663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).