About (2R)-4-carbazol-9-yl-N-[5-fluoro-1-(4-methylpiperazin-1-yl)-1,4-dioxopentan-3-yl]-4-oxo-2-propan-2-ylbutanamide
(2R)-4-carbazol-9-yl-N-[5-fluoro-1-(4-methylpiperazin-1-yl)-1,4-dioxopentan-3-yl]-4-oxo-2-propan-2-ylbutanamide (PubChem CID 22771099) has the molecular formula C29H35FN4O4
and a molecular weight of 522.62 g/mol. Its IUPAC name is (2R)-4-carbazol-9-yl-N-[5-fluoro-1-(4-methylpiperazin-1-yl)-1,4-dioxopentan-3-yl]-4-oxo-2-propan-2-ylbutanamide.
Molecular Properties
| Compound Name | (2R)-4-carbazol-9-yl-N-[5-fluoro-1-(4-methylpiperazin-1-yl)-1,4-dioxopentan-3-yl]-4-oxo-2-propan-2-ylbutanamide |
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| PubChem CID | 22771099 |
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| Molecular Formula | C29H35FN4O4 |
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| Molecular Weight | 522.62 g/mol |
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| Exact Mass | 522.26 |
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| IUPAC Name | (2R)-4-carbazol-9-yl-N-[5-fluoro-1-(4-methylpiperazin-1-yl)-1,4-dioxopentan-3-yl]-4-oxo-2-propan-2-ylbutanamide |
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| SMILES | CC(C)[C@@H](CC(=O)n1c2ccccc2c2ccccc21)C(=O)NC(CC(=O)N1CCN(C)CC1)C(=O)CF |
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| InChI | InChI=1S/C29H35FN4O4/c1-19(2)22(16-28(37)34-24-10-6-4-8-20(24)21-9-5-7-11-25(21)34)29(38)31-23(26(35)18-30)17-27(36)33-14-12-32(3)13-15-33/h4-11,19,22-23H,12-18H2,1-3H3,(H,31,38)/t22-,23?/m1/s1 |
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| InChIKey | JUKYOLMVZBKVIE-WTQRLHSKSA-N |
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| XLogP | 3.28 |
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| TPSA | 91.72 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 9 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 522.62 |
| LogP ≤ 5 | 3.28 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze (2R)-4-carbazol-9-yl-N-[5-fluoro-1-(4-methylpiperazin-1-yl)-1,4-dioxopentan-3-yl]-4-oxo-2-propan-2-ylbutanamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of (2R)-4-carbazol-9-yl-N-[5-fluoro-1-(4-methylpiperazin-1-yl)-1,4-dioxopentan-3-yl]-4-oxo-2-propan-2-ylbutanamide?
The IUPAC name of (2R)-4-carbazol-9-yl-N-[5-fluoro-1-(4-methylpiperazin-1-yl)-1,4-dioxopentan-3-yl]-4-oxo-2-propan-2-ylbutanamide (CID 22771099) is (2R)-4-carbazol-9-yl-N-[5-fluoro-1-(4-methylpiperazin-1-yl)-1,4-dioxopentan-3-yl]-4-oxo-2-propan-2-ylbutanamide.
What is the SMILES notation for (2R)-4-carbazol-9-yl-N-[5-fluoro-1-(4-methylpiperazin-1-yl)-1,4-dioxopentan-3-yl]-4-oxo-2-propan-2-ylbutanamide?
The canonical SMILES for (2R)-4-carbazol-9-yl-N-[5-fluoro-1-(4-methylpiperazin-1-yl)-1,4-dioxopentan-3-yl]-4-oxo-2-propan-2-ylbutanamide is CC(C)[C@@H](CC(=O)n1c2ccccc2c2ccccc21)C(=O)NC(CC(=O)N1CCN(C)CC1)C(=O)CF.
What is the InChIKey of (2R)-4-carbazol-9-yl-N-[5-fluoro-1-(4-methylpiperazin-1-yl)-1,4-dioxopentan-3-yl]-4-oxo-2-propan-2-ylbutanamide?
The InChIKey is JUKYOLMVZBKVIE-WTQRLHSKSA-N. The full InChI is InChI=1S/C29H35FN4O4/c1-19(2)22(16-28(37)34-24-10-6-4-8-20(24)21-9-5-7-11-25(21)34)29(38)31-23(26(35)18-30)17-27(36)33-14-12-32(3)13-15-33/h4-11,19,22-23H,12-18H2,1-3H3,(H,31,38)/t22-,23?/m1/s1.
What are the key properties of (2R)-4-carbazol-9-yl-N-[5-fluoro-1-(4-methylpiperazin-1-yl)-1,4-dioxopentan-3-yl]-4-oxo-2-propan-2-ylbutanamide?
(2R)-4-carbazol-9-yl-N-[5-fluoro-1-(4-methylpiperazin-1-yl)-1,4-dioxopentan-3-yl]-4-oxo-2-propan-2-ylbutanamide has a molecular weight of 522.62 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-carbazol-9-yl-N-[5-fluoro-1-(4-methylpiperazin-1-yl)-1,4-dioxopentan-3-yl]-4-oxo-2-propan-2-ylbutanamide is sourced from PubChem (CID 22771099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).