CID 144673980

C25H25B2N3O5 — CID 144673980

IUPAC—
SMILES[B]C1([B])CC(N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)NC1=O
InChIInChI=1S/C25H25B2N3O5/c26-25(27)12-20(22(31)28-24(25)33)30-14-19-18(23(30)32)2-1-3-21(19)35-15-17-6-4-16(5-7-17)13-29-8-10-34-11-9-29/h1-7,20H,8-15H2,(H,28,31,33)
InChIKeyBQIXAMREFRNOLI-UHFFFAOYSA-N
MW469.12 g/mol
LogP0.92
Rot. Bonds6

About CID 144673980

CID 144673980 (PubChem CID 144673980) has the molecular formula C25H25B2N3O5 and a molecular weight of 469.12 g/mol.

Molecular Properties

Compound NameCID 144673980
PubChem CID144673980
Molecular FormulaC25H25B2N3O5
Molecular Weight469.12 g/mol
Exact Mass469.20
IUPAC Name—
SMILES[B]C1([B])CC(N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)NC1=O
InChIInChI=1S/C25H25B2N3O5/c26-25(27)12-20(22(31)28-24(25)33)30-14-19-18(23(30)32)2-1-3-21(19)35-15-17-6-4-16(5-7-17)13-29-8-10-34-11-9-29/h1-7,20H,8-15H2,(H,28,31,33)
InChIKeyBQIXAMREFRNOLI-UHFFFAOYSA-N
XLogP0.92
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.12
LogP ≤ 50.92
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 144674132
CID 144674132
1-deuterio-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582759
3-benzyl-5-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 90036367
CID 144674106
CID 144674106
3,3,5-trideuterio-5-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 77107517
(5S)-3,3,4,4,5-pentadeuterio-5-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118583001
3-[3-oxo-7-[[2,3,6-trideuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582876
3-[7-[[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582863
3-[7-[[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 154605417
3-[7-[deuterio-[2-deuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582857
3,3,4,4-tetradeuterio-5-[7-[[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140817561
3-[7-[dideuterio-[2,6-dideuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582872

Frequently Asked Questions

What is the IUPAC name of CID 144673980?
The IUPAC name of CID 144673980 (CID 144673980) is not available.
What is the SMILES notation for CID 144673980?
The canonical SMILES for CID 144673980 is [B]C1([B])CC(N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)NC1=O.
What is the InChIKey of CID 144673980?
The InChIKey is BQIXAMREFRNOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25B2N3O5/c26-25(27)12-20(22(31)28-24(25)33)30-14-19-18(23(30)32)2-1-3-21(19)35-15-17-6-4-16(5-7-17)13-29-8-10-34-11-9-29/h1-7,20H,8-15H2,(H,28,31,33).
What are the key properties of CID 144673980?
CID 144673980 has a molecular weight of 469.12 g/mol, XLogP of 0.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144673980 is sourced from PubChem (CID 144673980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).