CID 144674156

C25H25B2N3O5 — CID 144674156

IUPAC—
SMILES[B]C1CN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)C([B])CO1
InChIInChI=1S/C25H25B2N3O5/c26-21-14-35-22(27)12-29(21)10-15-4-6-16(7-5-15)13-34-20-3-1-2-17-18(20)11-30(25(17)33)19-8-9-23(31)28-24(19)32/h1-7,19,21-22H,8-14H2,(H,28,31,32)
InChIKeyYWOMUVNVRFNNEQ-UHFFFAOYSA-N
MW469.12 g/mol
LogP0.85
Rot. Bonds6

About CID 144674156

CID 144674156 (PubChem CID 144674156) has the molecular formula C25H25B2N3O5 and a molecular weight of 469.12 g/mol.

Molecular Properties

Compound NameCID 144674156
PubChem CID144674156
Molecular FormulaC25H25B2N3O5
Molecular Weight469.12 g/mol
Exact Mass469.20
IUPAC Name—
SMILES[B]C1CN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)C([B])CO1
InChIInChI=1S/C25H25B2N3O5/c26-21-14-35-22(27)12-29(21)10-15-4-6-16(7-5-15)13-34-20-3-1-2-17-18(20)11-30(25(17)33)19-8-9-23(31)28-24(19)32/h1-7,19,21-22H,8-14H2,(H,28,31,32)
InChIKeyYWOMUVNVRFNNEQ-UHFFFAOYSA-N
XLogP0.85
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.12
LogP ≤ 50.85
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 142407170
CID 142407170
CID 144674122
CID 144674122
CID 144674063
CID 144674063
CID 144674068
CID 144674068
3-[7-[[4-(bromomethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 58389196
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-[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
CID 144674037
CID 144674037
4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]benzoic acid
CID 171158489
3-[3-oxo-7-[[4-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 67335013
(2R)-1-[[4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 72550893

Frequently Asked Questions

What is the IUPAC name of CID 144674156?
The IUPAC name of CID 144674156 (CID 144674156) is not available.
What is the SMILES notation for CID 144674156?
The canonical SMILES for CID 144674156 is [B]C1CN(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)C([B])CO1.
What is the InChIKey of CID 144674156?
The InChIKey is YWOMUVNVRFNNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25B2N3O5/c26-21-14-35-22(27)12-29(21)10-15-4-6-16(7-5-15)13-34-20-3-1-2-17-18(20)11-30(25(17)33)19-8-9-23(31)28-24(19)32/h1-7,19,21-22H,8-14H2,(H,28,31,32).
What are the key properties of CID 144674156?
CID 144674156 has a molecular weight of 469.12 g/mol, XLogP of 0.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144674156 is sourced from PubChem (CID 144674156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).