CID 144674068

C25H23B4N3O5 — CID 144674068

IUPAC—
SMILES[B]C1OCC([B])([B])N(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)C1[B]
InChIInChI=1S/C25H23B4N3O5/c26-21-22(27)37-13-25(28,29)32(21)10-14-4-6-15(7-5-14)12-36-19-3-1-2-16-17(19)11-31(24(16)35)18-8-9-20(33)30-23(18)34/h1-7,18,21-22H,8-13H2,(H,30,33,34)
InChIKeyVROQIBLFHCIHOF-UHFFFAOYSA-N
MW488.72 g/mol
LogP-0.16
Rot. Bonds6

About CID 144674068

CID 144674068 (PubChem CID 144674068) has the molecular formula C25H23B4N3O5 and a molecular weight of 488.72 g/mol.

Molecular Properties

Compound NameCID 144674068
PubChem CID144674068
Molecular FormulaC25H23B4N3O5
Molecular Weight488.72 g/mol
Exact Mass489.20
IUPAC Name—
SMILES[B]C1OCC([B])([B])N(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)C1[B]
InChIInChI=1S/C25H23B4N3O5/c26-21-22(27)37-13-25(28,29)32(21)10-14-4-6-15(7-5-14)12-36-19-3-1-2-16-17(19)11-31(24(16)35)18-8-9-20(33)30-23(18)34/h1-7,18,21-22H,8-13H2,(H,30,33,34)
InChIKeyVROQIBLFHCIHOF-UHFFFAOYSA-N
XLogP-0.16
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.72
LogP ≤ 5-0.16
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'}

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Related Compounds

CID 144674063
CID 144674063
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CID 144674037
CID 144674122
CID 144674122
CID 144674156
CID 144674156
3-[7-[[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154605417
CID 142407170
CID 142407170
3-[7-[[4-(bromomethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 58389196
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
4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]benzoic acid
CID 171158489
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
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

Frequently Asked Questions

What is the IUPAC name of CID 144674068?
The IUPAC name of CID 144674068 (CID 144674068) is not available.
What is the SMILES notation for CID 144674068?
The canonical SMILES for CID 144674068 is [B]C1OCC([B])([B])N(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)C1[B].
What is the InChIKey of CID 144674068?
The InChIKey is VROQIBLFHCIHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23B4N3O5/c26-21-22(27)37-13-25(28,29)32(21)10-14-4-6-15(7-5-14)12-36-19-3-1-2-16-17(19)11-31(24(16)35)18-8-9-20(33)30-23(18)34/h1-7,18,21-22H,8-13H2,(H,30,33,34).
What are the key properties of CID 144674068?
CID 144674068 has a molecular weight of 488.72 g/mol, XLogP of -0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144674068 is sourced from PubChem (CID 144674068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).