CID 144674106

C25H24B3N3O5 — CID 144674106

IUPAC—
SMILES[B]C1([B])CC([B])(N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)NC1=O
InChIInChI=1S/C25H24B3N3O5/c26-24(27)15-25(28,23(34)29-22(24)33)31-13-19-18(21(31)32)2-1-3-20(19)36-14-17-6-4-16(5-7-17)12-30-8-10-35-11-9-30/h1-7H,8-15H2,(H,29,33,34)
InChIKeySSIIVVLVRWZQHR-UHFFFAOYSA-N
MW478.92 g/mol
LogP0.42
Rot. Bonds6

About CID 144674106

CID 144674106 (PubChem CID 144674106) has the molecular formula C25H24B3N3O5 and a molecular weight of 478.92 g/mol.

Molecular Properties

Compound NameCID 144674106
PubChem CID144674106
Molecular FormulaC25H24B3N3O5
Molecular Weight478.92 g/mol
Exact Mass479.20
IUPAC Name—
SMILES[B]C1([B])CC([B])(N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)NC1=O
InChIInChI=1S/C25H24B3N3O5/c26-24(27)15-25(28,23(34)29-22(24)33)31-13-19-18(21(31)32)2-1-3-20(19)36-14-17-6-4-16(5-7-17)12-30-8-10-35-11-9-30/h1-7H,8-15H2,(H,29,33,34)
InChIKeySSIIVVLVRWZQHR-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
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 144673980
CID 144673980
CID 144674132
CID 144674132
CID 142407175
CID 142407175
CID 142407042
CID 142407042
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
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
(5S)-3,3,4,4,5-pentadeuterio-5-[1,1-dideuterio-7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione
CID 140915023
(3S)-3-deuterio-3-[1,1-dideuterio-7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxoisoindol-2-yl]piperidine-2,6-dione
CID 140915075
2-[7-[[4-(1,4-oxazepan-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]pentanedial
CID 129236680
3,3,4,4-tetrahydroxy-N-methyl-2-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]-5-oxopentanamide
CID 135292752

Frequently Asked Questions

What is the IUPAC name of CID 144674106?
The IUPAC name of CID 144674106 (CID 144674106) is not available.
What is the SMILES notation for CID 144674106?
The canonical SMILES for CID 144674106 is [B]C1([B])CC([B])(N2Cc3c(OCc4ccc(CN5CCOCC5)cc4)cccc3C2=O)C(=O)NC1=O.
What is the InChIKey of CID 144674106?
The InChIKey is SSIIVVLVRWZQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24B3N3O5/c26-24(27)15-25(28,23(34)29-22(24)33)31-13-19-18(21(31)32)2-1-3-20(19)36-14-17-6-4-16(5-7-17)12-30-8-10-35-11-9-30/h1-7H,8-15H2,(H,29,33,34).
What are the key properties of CID 144674106?
CID 144674106 has a molecular weight of 478.92 g/mol, XLogP of 0.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144674106 is sourced from PubChem (CID 144674106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).