CID 144674122

C25H23B4N3O5 — CID 144674122

IUPAC—
SMILES[B]C1COC([B])C([B])([B])N1Cc1ccc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1
InChIInChI=1S/C25H23B4N3O5/c26-20-13-37-24(27)25(28,29)32(20)10-14-4-6-15(7-5-14)12-36-19-3-1-2-16-17(19)11-31(23(16)35)18-8-9-21(33)30-22(18)34/h1-7,18,20,24H,8-13H2,(H,30,33,34)
InChIKeyZHXHUKPXKBGCJN-UHFFFAOYSA-N
MW488.72 g/mol
LogP-0.16
Rot. Bonds6

About CID 144674122

CID 144674122 (PubChem CID 144674122) has the molecular formula C25H23B4N3O5 and a molecular weight of 488.72 g/mol.

Molecular Properties

Compound NameCID 144674122
PubChem CID144674122
Molecular FormulaC25H23B4N3O5
Molecular Weight488.72 g/mol
Exact Mass489.20
IUPAC Name—
SMILES[B]C1COC([B])C([B])([B])N1Cc1ccc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1
InChIInChI=1S/C25H23B4N3O5/c26-20-13-37-24(27)25(28,29)32(20)10-14-4-6-15(7-5-14)12-36-19-3-1-2-16-17(19)11-31(23(16)35)18-8-9-21(33)30-22(18)34/h1-7,18,20,24H,8-13H2,(H,30,33,34)
InChIKeyZHXHUKPXKBGCJN-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
CID 144674037
CID 144674037
CID 144674156
CID 144674156
CID 142407170
CID 142407170
CID 144674068
CID 144674068
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-(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
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
4-[[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]benzoic acid
CID 171158489

Frequently Asked Questions

What is the IUPAC name of CID 144674122?
The IUPAC name of CID 144674122 (CID 144674122) is not available.
What is the SMILES notation for CID 144674122?
The canonical SMILES for CID 144674122 is [B]C1COC([B])C([B])([B])N1Cc1ccc(COc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)cc1.
What is the InChIKey of CID 144674122?
The InChIKey is ZHXHUKPXKBGCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23B4N3O5/c26-20-13-37-24(27)25(28,29)32(20)10-14-4-6-15(7-5-14)12-36-19-3-1-2-16-17(19)11-31(23(16)35)18-8-9-21(33)30-22(18)34/h1-7,18,20,24H,8-13H2,(H,30,33,34).
What are the key properties of CID 144674122?
CID 144674122 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 144674122 is sourced from PubChem (CID 144674122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).