CID 144674063

C25H24B3N3O5 — CID 144674063

IUPAC—
SMILES[B]C1COCC([B])([B])N1Cc1ccc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1
InChIInChI=1S/C25H24B3N3O5/c26-21-13-35-14-25(27,28)31(21)10-15-4-6-16(7-5-15)12-36-20-3-1-2-17-18(20)11-30(24(17)34)19-8-9-22(32)29-23(19)33/h1-7,19,21H,8-14H2,(H,29,32,33)
InChIKeyPORGMRMZWTYVCA-UHFFFAOYSA-N
MW478.92 g/mol
LogP0.34
Rot. Bonds6

About CID 144674063

CID 144674063 (PubChem CID 144674063) has the molecular formula C25H24B3N3O5 and a molecular weight of 478.92 g/mol.

Molecular Properties

Compound NameCID 144674063
PubChem CID144674063
Molecular FormulaC25H24B3N3O5
Molecular Weight478.92 g/mol
Exact Mass479.20
IUPAC Name—
SMILES[B]C1COCC([B])([B])N1Cc1ccc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1
InChIInChI=1S/C25H24B3N3O5/c26-21-13-35-14-25(27,28)31(21)10-15-4-6-16(7-5-15)12-36-20-3-1-2-17-18(20)11-30(24(17)34)19-8-9-22(32)29-23(19)33/h1-7,19,21H,8-14H2,(H,29,32,33)
InChIKeyPORGMRMZWTYVCA-UHFFFAOYSA-N
XLogP0.34
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.92
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 144674063 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 144674068
CID 144674068
CID 144674122
CID 144674122
CID 144674156
CID 144674156
CID 144674037
CID 144674037
CID 142407170
CID 142407170
3-[7-[[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154605417
3-[7-[[4-[(2,2,3,5,6,6-hexadeuteriomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582970
3-[7-[[4-(bromomethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 58389196
3-[7-[[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582863
3-[3-oxo-7-[[4-[(2,2,3-trideuterio-5-oxomorpholin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140902677
3-[3-oxo-7-[[4-[(3-oxomorpholin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 135262450
3-[3-oxo-7-[[4-[(2,2,3,3,6-pentadeuterio-5-oxomorpholin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140902608

Frequently Asked Questions

What is the IUPAC name of CID 144674063?
The IUPAC name of CID 144674063 (CID 144674063) is not available.
What is the SMILES notation for CID 144674063?
The canonical SMILES for CID 144674063 is [B]C1COCC([B])([B])N1Cc1ccc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1.
What is the InChIKey of CID 144674063?
The InChIKey is PORGMRMZWTYVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24B3N3O5/c26-21-13-35-14-25(27,28)31(21)10-15-4-6-16(7-5-15)12-36-20-3-1-2-17-18(20)11-30(24(17)34)19-8-9-22(32)29-23(19)33/h1-7,19,21H,8-14H2,(H,29,32,33).
What are the key properties of CID 144674063?
CID 144674063 has a molecular weight of 478.92 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144674063 is sourced from PubChem (CID 144674063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).