About N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (PubChem CID 89447484) has the molecular formula C31H34N8O3
and a molecular weight of 566.67 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.
Molecular Properties
| Compound Name | N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine |
|---|
| PubChem CID | 89447484 |
|---|
| Molecular Formula | C31H34N8O3 |
|---|
| Molecular Weight | 566.67 g/mol |
|---|
| Exact Mass | 566.28 |
|---|
| IUPAC Name | N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine |
|---|
| SMILES | COc1cc(OC)cc(N(CC2CCN(c3nccc(OC)n3)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1 |
|---|
| InChI | InChI=1S/C31H34N8O3/c1-37-20-22(17-34-37)29-18-33-27-6-5-23(15-28(27)35-29)39(24-13-25(40-2)16-26(14-24)41-3)19-21-8-11-38(12-9-21)31-32-10-7-30(36-31)42-4/h5-7,10,13-18,20-21H,8-9,11-12,19H2,1-4H3 |
|---|
| InChIKey | FIZPDUVDTGTPFQ-UHFFFAOYSA-N |
|---|
| XLogP | 4.90 |
|---|
| TPSA | 103.55 Ų |
|---|
| H-Bond Donors | |
|---|
| H-Bond Acceptors | 11 |
|---|
| Rotatable Bonds | 9 |
|---|
| Heavy Atoms | 42 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 566.67 |
| LogP ≤ 5 | 4.90 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 11 |
Analyze N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine 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 N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine (CID 89447484) is N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is COc1cc(OC)cc(N(CC2CCN(c3nccc(OC)n3)CC2)c2ccc3ncc(-c4cnn(C)c4)nc3c2)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
The InChIKey is FIZPDUVDTGTPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N8O3/c1-37-20-22(17-34-37)29-18-33-27-6-5-23(15-28(27)35-29)39(24-13-25(40-2)16-26(14-24)41-3)19-21-8-11-38(12-9-21)31-32-10-7-30(36-31)42-4/h5-7,10,13-18,20-21H,8-9,11-12,19H2,1-4H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine?
N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine has a molecular weight of 566.67 g/mol, XLogP of 4.90, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-N-[[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine is sourced from PubChem (CID 89447484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).