CID 144674148

C25H23B4N3O5 — CID 144674148

IUPAC—
SMILES[B]c1c(C([B])Oc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)ccc(C([B])N2CCOCC2)c1[B]
InChIInChI=1S/C25H23B4N3O5/c26-20-14(22(28)31-8-10-36-11-9-31)4-5-15(21(20)27)23(29)37-18-3-1-2-13-16(18)12-32(25(13)35)17-6-7-19(33)30-24(17)34/h1-5,17,22-23H,6-12H2,(H,30,33,34)
InChIKeySLVWIHYXJGPUDS-UHFFFAOYSA-N
MW488.72 g/mol
LogP-1.22
Rot. Bonds6

About CID 144674148

CID 144674148 (PubChem CID 144674148) has the molecular formula C25H23B4N3O5 and a molecular weight of 488.72 g/mol.

Molecular Properties

Compound NameCID 144674148
PubChem CID144674148
Molecular FormulaC25H23B4N3O5
Molecular Weight488.72 g/mol
Exact Mass489.20
IUPAC Name—
SMILES[B]c1c(C([B])Oc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)ccc(C([B])N2CCOCC2)c1[B]
InChIInChI=1S/C25H23B4N3O5/c26-20-14(22(28)31-8-10-36-11-9-31)4-5-15(21(20)27)23(29)37-18-3-1-2-13-16(18)12-32(25(13)35)17-6-7-19(33)30-24(17)34/h1-5,17,22-23H,6-12H2,(H,30,33,34)
InChIKeySLVWIHYXJGPUDS-UHFFFAOYSA-N
XLogP-1.22
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 ≤ 5-1.22
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 144674100
CID 144674100
3-[7-[[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582863
CID 142407081
CID 142407081
CID 144674128
CID 144674128
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
2-[[2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-3H-isoindol-4-yl]oxy]propanoic acid
CID 175590151
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-[3-oxo-7-[[4-[(3-oxomorpholin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 135262450
3-[7-[[4-[[methyl(2-morpholin-4-ylethyl)amino]methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 58389274
3-[7-[dideuterio-[3,5-dideuterio-4-[dideuterio(morpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582925
3-[7-[dideuterio-[2,5-dideuterio-4-[dideuterio(morpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582923

Frequently Asked Questions

What is the IUPAC name of CID 144674148?
The IUPAC name of CID 144674148 (CID 144674148) is not available.
What is the SMILES notation for CID 144674148?
The canonical SMILES for CID 144674148 is [B]c1c(C([B])Oc2cccc3c2CN(C2CCC(=O)NC2=O)C3=O)ccc(C([B])N2CCOCC2)c1[B].
What is the InChIKey of CID 144674148?
The InChIKey is SLVWIHYXJGPUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23B4N3O5/c26-20-14(22(28)31-8-10-36-11-9-31)4-5-15(21(20)27)23(29)37-18-3-1-2-13-16(18)12-32(25(13)35)17-6-7-19(33)30-24(17)34/h1-5,17,22-23H,6-12H2,(H,30,33,34).
What are the key properties of CID 144674148?
CID 144674148 has a molecular weight of 488.72 g/mol, XLogP of -1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144674148 is sourced from PubChem (CID 144674148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).