CID 142407170

C25H23B2N3O6 — CID 142407170

IUPAC—
SMILES[B]C1OCC([B])N(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)C1=O
InChIInChI=1S/C25H23B2N3O6/c26-20-13-36-22(27)25(34)30(20)10-14-4-6-15(7-5-14)12-35-19-3-1-2-16-17(19)11-29(24(16)33)18-8-9-21(31)28-23(18)32/h1-7,18,20,22H,8-13H2,(H,28,31,32)
InChIKeyDGEXKBQUKIHFNT-UHFFFAOYSA-N
MW483.10 g/mol
LogP0.37
Rot. Bonds6

About CID 142407170

CID 142407170 (PubChem CID 142407170) has the molecular formula C25H23B2N3O6 and a molecular weight of 483.10 g/mol.

Molecular Properties

Compound NameCID 142407170
PubChem CID142407170
Molecular FormulaC25H23B2N3O6
Molecular Weight483.10 g/mol
Exact Mass483.18
IUPAC Name—
SMILES[B]C1OCC([B])N(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)C1=O
InChIInChI=1S/C25H23B2N3O6/c26-20-13-36-22(27)25(34)30(20)10-14-4-6-15(7-5-14)12-35-19-3-1-2-16-17(19)11-29(24(16)33)18-8-9-21(31)28-23(18)32/h1-7,18,20,22H,8-13H2,(H,28,31,32)
InChIKeyDGEXKBQUKIHFNT-UHFFFAOYSA-N
XLogP0.37
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.10
LogP ≤ 50.37
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

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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
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-[(2,2,3-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 142407170?
The IUPAC name of CID 142407170 (CID 142407170) is not available.
What is the SMILES notation for CID 142407170?
The canonical SMILES for CID 142407170 is [B]C1OCC([B])N(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)C1=O.
What is the InChIKey of CID 142407170?
The InChIKey is DGEXKBQUKIHFNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23B2N3O6/c26-20-13-36-22(27)25(34)30(20)10-14-4-6-15(7-5-14)12-35-19-3-1-2-16-17(19)11-29(24(16)33)18-8-9-21(31)28-23(18)32/h1-7,18,20,22H,8-13H2,(H,28,31,32).
What are the key properties of CID 142407170?
CID 142407170 has a molecular weight of 483.10 g/mol, XLogP of 0.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142407170 is sourced from PubChem (CID 142407170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).