About Ziftomenib
Ziftomenib (PubChem CID 138497449) has the molecular formula C33H42F3N9O2S2
and a molecular weight of 717.89 g/mol. Its IUPAC name is 4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile.
Molecular Properties
| Compound Name | Ziftomenib |
|---|
| PubChem CID | 138497449 |
|---|
| Molecular Formula | C33H42F3N9O2S2 |
|---|
| Molecular Weight | 717.89 g/mol |
|---|
| Exact Mass | 717.29 |
|---|
| IUPAC Name | 4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile |
|---|
| SMILES | CNc1nc(NC2CCN(Cc3ccc4c(cc(C#N)n4C[C@H](C)N4CCN(S(C)(=O)=O)CC4)c3C)CC2)c2cc(CC(F)(F)F)sc2n1 |
|---|
| InChI | InChI=1S/C33H42F3N9O2S2/c1-21(43-11-13-44(14-12-43)49(4,46)47)19-45-25(18-37)15-27-22(2)23(5-6-29(27)45)20-42-9-7-24(8-10-42)39-30-28-16-26(17-33(34,35)36)48-31(28)41-32(38-3)40-30/h5-6,15-16,21,24H,7-14,17,19-20H2,1-4H3,(H2,38,39,40,41)/t21-/m0/s1 |
|---|
| InChIKey | BGGALFIXXQOTPY-NRFANRHFSA-N |
|---|
| XLogP | 5.01 |
|---|
| TPSA | 122.42 Ų |
|---|
| H-Bond Donors | 2 |
|---|
| H-Bond Acceptors | 11 |
|---|
| Rotatable Bonds | 10 |
|---|
| Heavy Atoms | 49 |
|---|
| Complexity | — |
|---|
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|
| MW ≤ 500 | 717.89 |
| LogP ≤ 5 | 5.01 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 11 |
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Frequently Asked Questions
What is the IUPAC name of Ziftomenib?
The IUPAC name of Ziftomenib (CID 138497449) is 4-methyl-5-[[4-[[2-(methylamino)-6-(2,2,2-trifluoroethyl)thieno[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]methyl]-1-[(2S)-2-(4-methylsulfonylpiperazin-1-yl)propyl]indole-2-carbonitrile.
What is the SMILES notation for Ziftomenib?
The canonical SMILES for Ziftomenib is CNc1nc(NC2CCN(Cc3ccc4c(cc(C#N)n4C[C@H](C)N4CCN(S(C)(=O)=O)CC4)c3C)CC2)c2cc(CC(F)(F)F)sc2n1.
What is the InChIKey of Ziftomenib?
The InChIKey is BGGALFIXXQOTPY-NRFANRHFSA-N. The full InChI is InChI=1S/C33H42F3N9O2S2/c1-21(43-11-13-44(14-12-43)49(4,46)47)19-45-25(18-37)15-27-22(2)23(5-6-29(27)45)20-42-9-7-24(8-10-42)39-30-28-16-26(17-33(34,35)36)48-31(28)41-32(38-3)40-30/h5-6,15-16,21,24H,7-14,17,19-20H2,1-4H3,(H2,38,39,40,41)/t21-/m0/s1.
What are the key properties of Ziftomenib?
Ziftomenib has a molecular weight of 717.89 g/mol, XLogP of 5.01, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for Ziftomenib is sourced from PubChem (CID 138497449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).