CID 156713575

C25H30BN3O2 — CID 156713575

IUPAC—
SMILESCCCc1ccc(CCN2CCC3(C2)CC2(C3)OB(O)c3cnc4[nH]ccc4c32)cc1
InChIInChI=1S/C25H30BN3O2/c1-2-3-18-4-6-19(7-5-18)9-12-29-13-10-24(17-29)15-25(16-24)22-20-8-11-27-23(20)28-14-21(22)26(30)31-25/h4-8,11,14,30H,2-3,9-10,12-13,15-17H2,1H3,(H,27,28)
InChIKeyIWOZGWNYZINWSN-UHFFFAOYSA-N
MW415.35 g/mol
LogP3.16
Rot. Bonds5

About CID 156713575

CID 156713575 (PubChem CID 156713575) has the molecular formula C25H30BN3O2 and a molecular weight of 415.35 g/mol.

Molecular Properties

Compound NameCID 156713575
PubChem CID156713575
Molecular FormulaC25H30BN3O2
Molecular Weight415.35 g/mol
Exact Mass415.24
IUPAC Name—
SMILESCCCc1ccc(CCN2CCC3(C2)CC2(C3)OB(O)c3cnc4[nH]ccc4c32)cc1
InChIInChI=1S/C25H30BN3O2/c1-2-3-18-4-6-19(7-5-18)9-12-29-13-10-24(17-29)15-25(16-24)22-20-8-11-27-23(20)28-14-21(22)26(30)31-25/h4-8,11,14,30H,2-3,9-10,12-13,15-17H2,1H3,(H,27,28)
InChIKeyIWOZGWNYZINWSN-UHFFFAOYSA-N
XLogP3.16
TPSA61.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze CID 156713575 with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 156713575?
The IUPAC name of CID 156713575 (CID 156713575) is not available.
What is the SMILES notation for CID 156713575?
The canonical SMILES for CID 156713575 is CCCc1ccc(CCN2CCC3(C2)CC2(C3)OB(O)c3cnc4[nH]ccc4c32)cc1.
What is the InChIKey of CID 156713575?
The InChIKey is IWOZGWNYZINWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30BN3O2/c1-2-3-18-4-6-19(7-5-18)9-12-29-13-10-24(17-29)15-25(16-24)22-20-8-11-27-23(20)28-14-21(22)26(30)31-25/h4-8,11,14,30H,2-3,9-10,12-13,15-17H2,1H3,(H,27,28).
What are the key properties of CID 156713575?
CID 156713575 has a molecular weight of 415.35 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 156713575 is sourced from PubChem (CID 156713575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).