2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol

C25H24F3N7O3 — CID 134460328

IUPAC2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
SMILESNc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3ccc(C(F)(F)F)cc32)C(O)C1O
InChIInChI=1S/C25H24F3N7O3/c26-25(27,28)13-5-6-15-14-3-1-2-4-16(14)34(17(15)9-13)8-7-30-10-18-20(36)21(37)24(38-18)35-12-33-19-22(29)31-11-32-23(19)35/h1-6,9,11-12,18,20-21,24,30,36-37H,7-8,10H2,(H2,29,31,32)
InChIKeyVIKMJYRZWLFOFV-UHFFFAOYSA-N
MW527.51 g/mol
LogP2.44
Rot. Bonds6

About 2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol

2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol (PubChem CID 134460328) has the molecular formula C25H24F3N7O3 and a molecular weight of 527.51 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
PubChem CID134460328
Molecular FormulaC25H24F3N7O3
Molecular Weight527.51 g/mol
Exact Mass527.19
IUPAC Name2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol
SMILESNc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3ccc(C(F)(F)F)cc32)C(O)C1O
InChIInChI=1S/C25H24F3N7O3/c26-25(27,28)13-5-6-15-14-3-1-2-4-16(14)34(17(15)9-13)8-7-30-10-18-20(36)21(37)24(38-18)35-12-33-19-22(29)31-11-32-23(19)35/h1-6,9,11-12,18,20-21,24,30,36-37H,7-8,10H2,(H2,29,31,32)
InChIKeyVIKMJYRZWLFOFV-UHFFFAOYSA-N
XLogP2.44
TPSA136.27 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.51
LogP ≤ 52.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol 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 2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol?
The IUPAC name of 2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol (CID 134460328) is 2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol.
What is the SMILES notation for 2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol?
The canonical SMILES for 2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol is Nc1ncnc2c1ncn2C1OC(CNCCn2c3ccccc3c3ccc(C(F)(F)F)cc32)C(O)C1O.
What is the InChIKey of 2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol?
The InChIKey is VIKMJYRZWLFOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N7O3/c26-25(27,28)13-5-6-15-14-3-1-2-4-16(14)34(17(15)9-13)8-7-30-10-18-20(36)21(37)24(38-18)35-12-33-19-22(29)31-11-32-23(19)35/h1-6,9,11-12,18,20-21,24,30,36-37H,7-8,10H2,(H2,29,31,32).
What are the key properties of 2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol?
2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol has a molecular weight of 527.51 g/mol, XLogP of 2.44, 6 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-5-[[2-[2-(trifluoromethyl)carbazol-9-yl]ethylamino]methyl]oxolane-3,4-diol is sourced from PubChem (CID 134460328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).