CID 142407172

C25H24BN3O6 — CID 142407172

IUPAC—
SMILES[B]C1c2c(OCc3ccc(CN4CCOCC4=O)cc3)cccc2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C25H24BN3O6/c26-23-22-17(25(33)29(23)18-8-9-20(30)27-24(18)32)2-1-3-19(22)35-13-16-6-4-15(5-7-16)12-28-10-11-34-14-21(28)31/h1-7,18,23H,8-14H2,(H,27,30,32)
InChIKeyVSINKKQKIGZYTL-UHFFFAOYSA-N
MW473.29 g/mol
LogP1.05
Rot. Bonds6

About CID 142407172

CID 142407172 (PubChem CID 142407172) has the molecular formula C25H24BN3O6 and a molecular weight of 473.29 g/mol.

Molecular Properties

Compound NameCID 142407172
PubChem CID142407172
Molecular FormulaC25H24BN3O6
Molecular Weight473.29 g/mol
Exact Mass473.18
IUPAC Name—
SMILES[B]C1c2c(OCc3ccc(CN4CCOCC4=O)cc3)cccc2C(=O)N1C1CCC(=O)NC1=O
InChIInChI=1S/C25H24BN3O6/c26-23-22-17(25(33)29(23)18-8-9-20(30)27-24(18)32)2-1-3-19(22)35-13-16-6-4-15(5-7-16)12-28-10-11-34-14-21(28)31/h1-7,18,23H,8-14H2,(H,27,30,32)
InChIKeyVSINKKQKIGZYTL-UHFFFAOYSA-N
XLogP1.05
TPSA105.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.29
LogP ≤ 51.05
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

3-[3-oxo-7-[[4-[(3-oxomorpholin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 135262450
3-[7-[[3,5-dideuterio-4-[(3-oxomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140902583
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-[1,4,5-trideuterio-3-oxo-7-[[4-[(3-oxomorpholin-4-yl)methyl]phenyl]methoxy]-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140902578
3-[7-[dideuterio-[2-deuterio-4-[(3-oxomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140902682
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
CID 142407175
CID 142407175
4-[[4-[[2-(4,5-dideuterio-6-methylidene-2-oxopiperidin-3-yl)-1-oxo-3H-isoindol-4-yl]oxymethyl]phenyl]methyl]morpholin-3-one
CID 160611136
CID 142407042
CID 142407042
3-[7-[dideuterio-[4-[dideuterio-(3-oxomorpholin-4-yl)methyl]phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 140902533
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
CID 142407081
CID 142407081

Frequently Asked Questions

What is the IUPAC name of CID 142407172?
The IUPAC name of CID 142407172 (CID 142407172) is not available.
What is the SMILES notation for CID 142407172?
The canonical SMILES for CID 142407172 is [B]C1c2c(OCc3ccc(CN4CCOCC4=O)cc3)cccc2C(=O)N1C1CCC(=O)NC1=O.
What is the InChIKey of CID 142407172?
The InChIKey is VSINKKQKIGZYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BN3O6/c26-23-22-17(25(33)29(23)18-8-9-20(30)27-24(18)32)2-1-3-19(22)35-13-16-6-4-15(5-7-16)12-28-10-11-34-14-21(28)31/h1-7,18,23H,8-14H2,(H,27,30,32).
What are the key properties of CID 142407172?
CID 142407172 has a molecular weight of 473.29 g/mol, XLogP of 1.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 142407172 is sourced from PubChem (CID 142407172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).