CID 144673989

C25H23B4N3O5 — CID 144673989

IUPAC—
SMILES[B]c1cc(CN2CCOCC2)cc([B])c1C([B])([B])Oc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C25H23B4N3O5/c26-17-10-14(12-31-6-8-36-9-7-31)11-18(27)22(17)25(28,29)37-20-3-1-2-15-16(20)13-32(24(15)35)19-4-5-21(33)30-23(19)34/h1-3,10-11,19H,4-9,12-13H2,(H,30,33,34)
InChIKeyQBWMASOPCBYXLF-UHFFFAOYSA-N
MW488.72 g/mol
LogP-1.61
Rot. Bonds6

About CID 144673989

CID 144673989 (PubChem CID 144673989) has the molecular formula C25H23B4N3O5 and a molecular weight of 488.72 g/mol.

Molecular Properties

Compound NameCID 144673989
PubChem CID144673989
Molecular FormulaC25H23B4N3O5
Molecular Weight488.72 g/mol
Exact Mass489.20
IUPAC Name—
SMILES[B]c1cc(CN2CCOCC2)cc([B])c1C([B])([B])Oc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C25H23B4N3O5/c26-17-10-14(12-31-6-8-36-9-7-31)11-18(27)22(17)25(28,29)37-20-3-1-2-15-16(20)13-32(24(15)35)19-4-5-21(33)30-23(19)34/h1-3,10-11,19H,4-9,12-13H2,(H,30,33,34)
InChIKeyQBWMASOPCBYXLF-UHFFFAOYSA-N
XLogP-1.61
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.72
LogP ≤ 5-1.61
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 144673994
CID 144673994
CID 144674125
CID 144674125
CID 142407095
CID 142407095
3-[7-[dideuterio-[2,6-dideuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582872
CID 144674042
CID 144674042
3-[7-[deuterio-[2,6-dideuterio-4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582868
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
CID 142407106
CID 142407106
CID 144674128
CID 144674128
1-deuterio-3-[7-[[4-(morpholin-4-ylmethyl)phenyl]methoxy]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118582759
CID 144674100
CID 144674100

Frequently Asked Questions

What is the IUPAC name of CID 144673989?
The IUPAC name of CID 144673989 (CID 144673989) is not available.
What is the SMILES notation for CID 144673989?
The canonical SMILES for CID 144673989 is [B]c1cc(CN2CCOCC2)cc([B])c1C([B])([B])Oc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of CID 144673989?
The InChIKey is QBWMASOPCBYXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23B4N3O5/c26-17-10-14(12-31-6-8-36-9-7-31)11-18(27)22(17)25(28,29)37-20-3-1-2-15-16(20)13-32(24(15)35)19-4-5-21(33)30-23(19)34/h1-3,10-11,19H,4-9,12-13H2,(H,30,33,34).
What are the key properties of CID 144673989?
CID 144673989 has a molecular weight of 488.72 g/mol, XLogP of -1.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 144673989 is sourced from PubChem (CID 144673989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).