CID 89333622

C24H27BN6 — CID 89333622

IUPAC—
SMILES[B]c1cnn2c(NCc3cccnc3)cc(C3CCN(C4C[C@@H]5CC56C[C@H]46)CC3)nc12
InChIInChI=1S/C24H27BN6/c25-19-14-28-31-22(27-13-15-2-1-5-26-12-15)9-20(29-23(19)31)16-3-6-30(7-4-16)21-8-17-10-24(17)11-18(21)24/h1-2,5,9,12,14,16-18,21,27H,3-4,6-8,10-11,13H2/t17-,18-,21?,24?/m1/s1
InChIKeyRMYLMRMGFXIYBM-VBINNDEPSA-N
MW410.33 g/mol
LogP2.51
Rot. Bonds5

About CID 89333622

CID 89333622 (PubChem CID 89333622) has the molecular formula C24H27BN6 and a molecular weight of 410.33 g/mol.

Molecular Properties

Compound NameCID 89333622
PubChem CID89333622
Molecular FormulaC24H27BN6
Molecular Weight410.33 g/mol
Exact Mass410.24
IUPAC Name—
SMILES[B]c1cnn2c(NCc3cccnc3)cc(C3CCN(C4C[C@@H]5CC56C[C@H]46)CC3)nc12
InChIInChI=1S/C24H27BN6/c25-19-14-28-31-22(27-13-15-2-1-5-26-12-15)9-20(29-23(19)31)16-3-6-30(7-4-16)21-8-17-10-24(17)11-18(21)24/h1-2,5,9,12,14,16-18,21,27H,3-4,6-8,10-11,13H2/t17-,18-,21?,24?/m1/s1
InChIKeyRMYLMRMGFXIYBM-VBINNDEPSA-N
XLogP2.51
TPSA58.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.33
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze CID 89333622 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

CID 89055919
CID 89055919
CID 89023533
CID 89023533
CID 89056038
CID 89056038
CID 89333689
CID 89333689
CID 88986711
CID 88986711
CID 89055697
CID 89055697
CID 89055425
CID 89055425
CID 89056123
CID 89056123
CID 89055298
CID 89055298
CID 89365529
CID 89365529
CID 89055611
CID 89055611
CID 89298180
CID 89298180

Frequently Asked Questions

What is the IUPAC name of CID 89333622?
The IUPAC name of CID 89333622 (CID 89333622) is not available.
What is the SMILES notation for CID 89333622?
The canonical SMILES for CID 89333622 is [B]c1cnn2c(NCc3cccnc3)cc(C3CCN(C4C[C@@H]5CC56C[C@H]46)CC3)nc12.
What is the InChIKey of CID 89333622?
The InChIKey is RMYLMRMGFXIYBM-VBINNDEPSA-N. The full InChI is InChI=1S/C24H27BN6/c25-19-14-28-31-22(27-13-15-2-1-5-26-12-15)9-20(29-23(19)31)16-3-6-30(7-4-16)21-8-17-10-24(17)11-18(21)24/h1-2,5,9,12,14,16-18,21,27H,3-4,6-8,10-11,13H2/t17-,18-,21?,24?/m1/s1.
What are the key properties of CID 89333622?
CID 89333622 has a molecular weight of 410.33 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89333622 is sourced from PubChem (CID 89333622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).