CID 144674073

C25H25B2N3O5 — CID 144674073

IUPAC—
SMILES[B]c1cc2c(c(OCc3ccc(CN4CCOCC4)cc3)c1[B])CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C25H25B2N3O5/c26-19-11-17-18(13-30(25(17)33)20-5-6-21(31)28-24(20)32)23(22(19)27)35-14-16-3-1-15(2-4-16)12-29-7-9-34-10-8-29/h1-4,11,20H,5-10,12-14H2,(H,28,31,32)
InChIKeyNRWHKMCUVBVQJY-UHFFFAOYSA-N
MW469.12 g/mol
LogP-0.55
Rot. Bonds6

About CID 144674073

CID 144674073 (PubChem CID 144674073) has the molecular formula C25H25B2N3O5 and a molecular weight of 469.12 g/mol.

Molecular Properties

Compound NameCID 144674073
PubChem CID144674073
Molecular FormulaC25H25B2N3O5
Molecular Weight469.12 g/mol
Exact Mass469.20
IUPAC Name—
SMILES[B]c1cc2c(c(OCc3ccc(CN4CCOCC4)cc3)c1[B])CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C25H25B2N3O5/c26-19-11-17-18(13-30(25(17)33)20-5-6-21(31)28-24(20)32)23(22(19)27)35-14-16-3-1-15(2-4-16)12-29-7-9-34-10-8-29/h1-4,11,20H,5-10,12-14H2,(H,28,31,32)
InChIKeyNRWHKMCUVBVQJY-UHFFFAOYSA-N
XLogP-0.55
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 ≤ 5-0.55
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'}

Analyze CID 144674073 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-[4,5,6-trideuterio-7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140915014
CID 144673994
CID 144673994
1-deuterio-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582759
CID 144673989
CID 144673989
3-[1,4,5,6-tetradeuterio-7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582828
CID 144674128
CID 144674128
3-[7-[[4-[dideuterio(morpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582863
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-[deuterio-[2-deuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582857
(3R)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;(3S)-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione;3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 159987516
3-[7-[dideuterio-[2,6-dideuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582872
(3S)-3-[3-[[5-(morpholin-4-ylmethyl)-2-pyridinyl]oxymethyl]-6-oxo-4H-thieno[3,4-c]pyrrol-5-yl]piperidine-2,6-dione
CID 149240574

Frequently Asked Questions

What is the IUPAC name of CID 144674073?
The IUPAC name of CID 144674073 (CID 144674073) is not available.
What is the SMILES notation for CID 144674073?
The canonical SMILES for CID 144674073 is [B]c1cc2c(c(OCc3ccc(CN4CCOCC4)cc3)c1[B])CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of CID 144674073?
The InChIKey is NRWHKMCUVBVQJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25B2N3O5/c26-19-11-17-18(13-30(25(17)33)20-5-6-21(31)28-24(20)32)23(22(19)27)35-14-16-3-1-15(2-4-16)12-29-7-9-34-10-8-29/h1-4,11,20H,5-10,12-14H2,(H,28,31,32).
What are the key properties of CID 144674073?
CID 144674073 has a molecular weight of 469.12 g/mol, XLogP of -0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144674073 is sourced from PubChem (CID 144674073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).