About 4-tert-butyl-3-methoxy-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide
4-tert-butyl-3-methoxy-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide (PubChem CID 58728907) has the molecular formula C35H39N5O5
and a molecular weight of 609.73 g/mol. Its IUPAC name is 4-tert-butyl-3-methoxy-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide.
Molecular Properties
| Compound Name | 4-tert-butyl-3-methoxy-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide |
|---|
| PubChem CID | 58728907 |
|---|
| Molecular Formula | C35H39N5O5 |
|---|
| Molecular Weight | 609.73 g/mol |
|---|
| Exact Mass | 609.30 |
|---|
| IUPAC Name | 4-tert-butyl-3-methoxy-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide |
|---|
| SMILES | COc1cc(C(=O)Nc2cccc(-c3cn(C)c(=O)c(Nc4ccc(C(=O)N5CCOCC5)cc4)n3)c2C)ccc1C(C)(C)C |
|---|
| InChI | InChI=1S/C35H39N5O5/c1-22-26(8-7-9-28(22)38-32(41)24-12-15-27(35(2,3)4)30(20-24)44-6)29-21-39(5)34(43)31(37-29)36-25-13-10-23(11-14-25)33(42)40-16-18-45-19-17-40/h7-15,20-21H,16-19H2,1-6H3,(H,36,37)(H,38,41) |
|---|
| InChIKey | ZAVQEYHPWKVLMG-UHFFFAOYSA-N |
|---|
| XLogP | 5.53 |
|---|
| TPSA | 114.79 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 8 |
|---|
| Rotatable Bonds | 7 |
|---|
| Heavy Atoms | 45 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
2 violations
| Rule | Value |
|---|
| MW ≤ 500 | 609.73 |
| LogP ≤ 5 | 5.53 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 4-tert-butyl-3-methoxy-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide 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 4-tert-butyl-3-methoxy-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide?
The IUPAC name of 4-tert-butyl-3-methoxy-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide (CID 58728907) is 4-tert-butyl-3-methoxy-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide.
What is the SMILES notation for 4-tert-butyl-3-methoxy-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide?
The canonical SMILES for 4-tert-butyl-3-methoxy-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide is COc1cc(C(=O)Nc2cccc(-c3cn(C)c(=O)c(Nc4ccc(C(=O)N5CCOCC5)cc4)n3)c2C)ccc1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-3-methoxy-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide?
The InChIKey is ZAVQEYHPWKVLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H39N5O5/c1-22-26(8-7-9-28(22)38-32(41)24-12-15-27(35(2,3)4)30(20-24)44-6)29-21-39(5)34(43)31(37-29)36-25-13-10-23(11-14-25)33(42)40-16-18-45-19-17-40/h7-15,20-21H,16-19H2,1-6H3,(H,36,37)(H,38,41).
What are the key properties of 4-tert-butyl-3-methoxy-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide?
4-tert-butyl-3-methoxy-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide has a molecular weight of 609.73 g/mol, XLogP of 5.53, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-3-methoxy-N-[2-methyl-3-[4-methyl-6-[4-(morpholine-4-carbonyl)anilino]-5-oxopyrazin-2-yl]phenyl]benzamide is sourced from PubChem (CID 58728907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).