CID 144674128

C25H24B3N3O5 — CID 144674128

IUPAC—
SMILES[B]c1cc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c([B])c([B])c1CN1CCOCC1
InChIInChI=1S/C25H24B3N3O5/c26-18-10-14(22(27)23(28)17(18)11-30-6-8-35-9-7-30)13-36-20-3-1-2-15-16(20)12-31(25(15)34)19-4-5-21(32)29-24(19)33/h1-3,10,19H,4-9,11-13H2,(H,29,32,33)
InChIKeyDLCOCHYJKBPQLQ-UHFFFAOYSA-N
MW478.92 g/mol
LogP-1.76
Rot. Bonds6

About CID 144674128

CID 144674128 (PubChem CID 144674128) has the molecular formula C25H24B3N3O5 and a molecular weight of 478.92 g/mol.

Molecular Properties

Compound NameCID 144674128
PubChem CID144674128
Molecular FormulaC25H24B3N3O5
Molecular Weight478.92 g/mol
Exact Mass479.20
IUPAC Name—
SMILES[B]c1cc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c([B])c([B])c1CN1CCOCC1
InChIInChI=1S/C25H24B3N3O5/c26-18-10-14(22(27)23(28)17(18)11-30-6-8-35-9-7-30)13-36-20-3-1-2-15-16(20)12-31(25(15)34)19-4-5-21(32)29-24(19)33/h1-3,10,19H,4-9,11-13H2,(H,29,32,33)
InChIKeyDLCOCHYJKBPQLQ-UHFFFAOYSA-N
XLogP-1.76
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 ≤ 5-1.76
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

3-[3-oxo-7-[[2,3,6-trideuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582876
CID 144674090
CID 144674090
3-[7-[[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582863
3-[7-[[2,5-dideuterio-4-[dideuterio(morpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582896
1-deuterio-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582759
3-[7-[dideuterio-[2,6-dideuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582872
CID 144673989
CID 144673989
(3S)-3-[7-[dideuterio-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 153447448
CID 144673994
CID 144673994
3-[7-[dideuterio-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140817515
3-[7-[deuterio-[2,6-dideuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582868
3-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 58389274

Frequently Asked Questions

What is the IUPAC name of CID 144674128?
The IUPAC name of CID 144674128 (CID 144674128) is not available.
What is the SMILES notation for CID 144674128?
The canonical SMILES for CID 144674128 is [B]c1cc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)c([B])c([B])c1CN1CCOCC1.
What is the InChIKey of CID 144674128?
The InChIKey is DLCOCHYJKBPQLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24B3N3O5/c26-18-10-14(22(27)23(28)17(18)11-30-6-8-35-9-7-30)13-36-20-3-1-2-15-16(20)12-31(25(15)34)19-4-5-21(32)29-24(19)33/h1-3,10,19H,4-9,11-13H2,(H,29,32,33).
What are the key properties of CID 144674128?
CID 144674128 has a molecular weight of 478.92 g/mol, XLogP of -1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144674128 is sourced from PubChem (CID 144674128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).