CID 142407081

C25H22B3N3O6 — CID 142407081

IUPAC—
SMILES[B]c1cc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc([B])c1C([B])N1CCOCC1=O
InChIInChI=1S/C25H22B3N3O6/c26-16-8-13(9-17(27)22(16)23(28)30-6-7-36-12-21(30)33)11-37-19-3-1-2-14-15(19)10-31(25(14)35)18-4-5-20(32)29-24(18)34/h1-3,8-9,18,23H,4-7,10-12H2,(H,29,32,34)
InChIKeyUWQQFOHYJCPTBU-UHFFFAOYSA-N
MW492.90 g/mol
LogP-1.36
Rot. Bonds6

About CID 142407081

CID 142407081 (PubChem CID 142407081) has the molecular formula C25H22B3N3O6 and a molecular weight of 492.90 g/mol.

Molecular Properties

Compound NameCID 142407081
PubChem CID142407081
Molecular FormulaC25H22B3N3O6
Molecular Weight492.90 g/mol
Exact Mass493.18
IUPAC Name—
SMILES[B]c1cc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc([B])c1C([B])N1CCOCC1=O
InChIInChI=1S/C25H22B3N3O6/c26-16-8-13(9-17(27)22(16)23(28)30-6-7-36-12-21(30)33)11-37-19-3-1-2-14-15(19)10-31(25(14)35)18-4-5-20(32)29-24(18)34/h1-3,8-9,18,23H,4-7,10-12H2,(H,29,32,34)
InChIKeyUWQQFOHYJCPTBU-UHFFFAOYSA-N
XLogP-1.36
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.90
LogP ≤ 5-1.36
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 142407081 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

3-[3-oxo-7-[[4-[(3-oxomorpholin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 135262450
CID 142407124
CID 142407124
3-[7-[[4-[(3,3-dideuterio-5-oxomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140902584
3-[7-[[3,5-dideuterio-4-[(3-oxomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140902583
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
4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]benzoic acid
CID 171158489
3-[7-[dideuterio-[4-[dideuterio-(3-oxomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140902533
CID 144674090
CID 144674090
CID 144674128
CID 144674128
3-[7-[dideuterio-[2-deuterio-4-[(3-oxomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140902682
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

Frequently Asked Questions

What is the IUPAC name of CID 142407081?
The IUPAC name of CID 142407081 (CID 142407081) is not available.
What is the SMILES notation for CID 142407081?
The canonical SMILES for CID 142407081 is [B]c1cc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc([B])c1C([B])N1CCOCC1=O.
What is the InChIKey of CID 142407081?
The InChIKey is UWQQFOHYJCPTBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22B3N3O6/c26-16-8-13(9-17(27)22(16)23(28)30-6-7-36-12-21(30)33)11-37-19-3-1-2-14-15(19)10-31(25(14)35)18-4-5-20(32)29-24(18)34/h1-3,8-9,18,23H,4-7,10-12H2,(H,29,32,34).
What are the key properties of CID 142407081?
CID 142407081 has a molecular weight of 492.90 g/mol, XLogP of -1.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142407081 is sourced from PubChem (CID 142407081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).