About 2-[6-[[4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazin-2-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol
2-[6-[[4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazin-2-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol (PubChem CID 155003012) has the molecular formula C30H24ClFN8O
and a molecular weight of 567.03 g/mol. Its IUPAC name is 2-[6-[[4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazin-2-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol.
Molecular Properties
| Compound Name | 2-[6-[[4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazin-2-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol |
|---|
| PubChem CID | 155003012 |
|---|
| Molecular Formula | C30H24ClFN8O |
|---|
| Molecular Weight | 567.03 g/mol |
|---|
| Exact Mass | 566.17 |
|---|
| IUPAC Name | 2-[6-[[4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazin-2-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol |
|---|
| SMILES | CC(C)(O)c1cccc(Cn2cc(-c3nc(-c4cc(Cl)c5ncccc5c4)c(-c4ccc(F)cc4)nc3N)nn2)n1 |
|---|
| InChI | InChI=1S/C30H24ClFN8O/c1-30(2,41)24-7-3-6-21(35-24)15-40-16-23(38-39-40)28-29(33)37-26(17-8-10-20(32)11-9-17)27(36-28)19-13-18-5-4-12-34-25(18)22(31)14-19/h3-14,16,41H,15H2,1-2H3,(H2,33,37) |
|---|
| InChIKey | CIYKLNAMMQGZDB-UHFFFAOYSA-N |
|---|
| XLogP | 5.66 |
|---|
| TPSA | 128.52 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 9 |
|---|
| Rotatable Bonds | 6 |
|---|
| Heavy Atoms | 41 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 567.03 |
| LogP ≤ 5 | 5.66 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze 2-[6-[[4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazin-2-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol 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-[[4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazin-2-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The IUPAC name of 2-[6-[[4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazin-2-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol (CID 155003012) is 2-[6-[[4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazin-2-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol.
What is the SMILES notation for 2-[6-[[4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazin-2-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The canonical SMILES for 2-[6-[[4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazin-2-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol is CC(C)(O)c1cccc(Cn2cc(-c3nc(-c4cc(Cl)c5ncccc5c4)c(-c4ccc(F)cc4)nc3N)nn2)n1.
What is the InChIKey of 2-[6-[[4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazin-2-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
The InChIKey is CIYKLNAMMQGZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24ClFN8O/c1-30(2,41)24-7-3-6-21(35-24)15-40-16-23(38-39-40)28-29(33)37-26(17-8-10-20(32)11-9-17)27(36-28)19-13-18-5-4-12-34-25(18)22(31)14-19/h3-14,16,41H,15H2,1-2H3,(H2,33,37).
What are the key properties of 2-[6-[[4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazin-2-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol?
2-[6-[[4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazin-2-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol has a molecular weight of 567.03 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[[4-[3-amino-6-(8-chloroquinolin-6-yl)-5-(4-fluorophenyl)pyrazin-2-yl]triazol-1-yl]methyl]-2-pyridinyl]propan-2-ol is sourced from PubChem (CID 155003012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).