CID 144674037

C25H22B5N3O5 — CID 144674037

IUPAC—
SMILES[B]C1OC([B])C([B])([B])N(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)C1[B]
InChIInChI=1S/C25H22B5N3O5/c26-20-21(27)38-24(28)25(29,30)33(20)10-13-4-6-14(7-5-13)12-37-18-3-1-2-15-16(18)11-32(23(15)36)17-8-9-19(34)31-22(17)35/h1-7,17,20-21,24H,8-12H2,(H,31,34,35)
InChIKeyZQBCPHBVBCHVIN-UHFFFAOYSA-N
MW498.53 g/mol
LogP-0.67
Rot. Bonds6

About CID 144674037

CID 144674037 (PubChem CID 144674037) has the molecular formula C25H22B5N3O5 and a molecular weight of 498.53 g/mol.

Molecular Properties

Compound NameCID 144674037
PubChem CID144674037
Molecular FormulaC25H22B5N3O5
Molecular Weight498.53 g/mol
Exact Mass499.20
IUPAC Name—
SMILES[B]C1OC([B])C([B])([B])N(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)C1[B]
InChIInChI=1S/C25H22B5N3O5/c26-20-21(27)38-24(28)25(29,30)33(20)10-13-4-6-14(7-5-13)12-37-18-3-1-2-15-16(18)11-32(23(15)36)17-8-9-19(34)31-22(17)35/h1-7,17,20-21,24H,8-12H2,(H,31,34,35)
InChIKeyZQBCPHBVBCHVIN-UHFFFAOYSA-N
XLogP-0.67
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.53
LogP ≤ 5-0.67
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 144674068
CID 144674068
CID 144674122
CID 144674122
CID 144674063
CID 144674063
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-[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-[[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
CID 142407170
CID 142407170
CID 144674156
CID 144674156
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-trideuterio-5-oxomorpholin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140902677

Frequently Asked Questions

What is the IUPAC name of CID 144674037?
The IUPAC name of CID 144674037 (CID 144674037) is not available.
What is the SMILES notation for CID 144674037?
The canonical SMILES for CID 144674037 is [B]C1OC([B])C([B])([B])N(Cc2ccc(COc3cccc4c3CN(C3CCC(=O)NC3=O)C4=O)cc2)C1[B].
What is the InChIKey of CID 144674037?
The InChIKey is ZQBCPHBVBCHVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22B5N3O5/c26-20-21(27)38-24(28)25(29,30)33(20)10-13-4-6-14(7-5-13)12-37-18-3-1-2-15-16(18)11-32(23(15)36)17-8-9-19(34)31-22(17)35/h1-7,17,20-21,24H,8-12H2,(H,31,34,35).
What are the key properties of CID 144674037?
CID 144674037 has a molecular weight of 498.53 g/mol, XLogP of -0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144674037 is sourced from PubChem (CID 144674037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).