CID 144673994

C25H24B3N3O5 — CID 144673994

IUPAC—
SMILES[B]c1cc(CN2CCOCC2)ccc1C([B])([B])Oc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C25H24B3N3O5/c26-19-12-15(13-30-8-10-35-11-9-30)4-5-18(19)25(27,28)36-21-3-1-2-16-17(21)14-31(24(16)34)20-6-7-22(32)29-23(20)33/h1-5,12,20H,6-11,13-14H2,(H,29,32,33)
InChIKeyJCJNTGATEAXBJH-UHFFFAOYSA-N
MW478.92 g/mol
LogP-0.40
Rot. Bonds6

About CID 144673994

CID 144673994 (PubChem CID 144673994) has the molecular formula C25H24B3N3O5 and a molecular weight of 478.92 g/mol.

Molecular Properties

Compound NameCID 144673994
PubChem CID144673994
Molecular FormulaC25H24B3N3O5
Molecular Weight478.92 g/mol
Exact Mass479.20
IUPAC Name—
SMILES[B]c1cc(CN2CCOCC2)ccc1C([B])([B])Oc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C25H24B3N3O5/c26-19-12-15(13-30-8-10-35-11-9-30)4-5-18(19)25(27,28)36-21-3-1-2-16-17(21)14-31(24(16)34)20-6-7-22(32)29-23(20)33/h1-5,12,20H,6-11,13-14H2,(H,29,32,33)
InChIKeyJCJNTGATEAXBJH-UHFFFAOYSA-N
XLogP-0.40
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.92
LogP ≤ 5-0.40
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 144673989
CID 144673989
CID 144674042
CID 144674042
CID 144674125
CID 144674125
CID 142407124
CID 142407124
3-[7-[deuterio-[2-deuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582857
3-[7-[dideuterio-[2,6-dideuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582872
3-[7-[deuterio-[2,6-dideuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582868
(3S)-3-[7-[dideuterio-[2-fluoro-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 153447448
3-[7-[dideuterio-[2-fluoro-5-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140817515
1-deuterio-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582759
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

Frequently Asked Questions

What is the IUPAC name of CID 144673994?
The IUPAC name of CID 144673994 (CID 144673994) is not available.
What is the SMILES notation for CID 144673994?
The canonical SMILES for CID 144673994 is [B]c1cc(CN2CCOCC2)ccc1C([B])([B])Oc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of CID 144673994?
The InChIKey is JCJNTGATEAXBJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24B3N3O5/c26-19-12-15(13-30-8-10-35-11-9-30)4-5-18(19)25(27,28)36-21-3-1-2-16-17(21)14-31(24(16)34)20-6-7-22(32)29-23(20)33/h1-5,12,20H,6-11,13-14H2,(H,29,32,33).
What are the key properties of CID 144673994?
CID 144673994 has a molecular weight of 478.92 g/mol, XLogP of -0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144673994 is sourced from PubChem (CID 144673994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).