About 4-[3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide
4-[3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (PubChem CID 59375017) has the molecular formula C32H29FN6O3
and a molecular weight of 564.62 g/mol. Its IUPAC name is 4-[3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.
Molecular Properties
| Compound Name | 4-[3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide |
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| PubChem CID | 59375017 |
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| Molecular Formula | C32H29FN6O3 |
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| Molecular Weight | 564.62 g/mol |
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| Exact Mass | 564.23 |
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| IUPAC Name | 4-[3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide |
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| SMILES | Cc1c(NC(=O)c2ccc(F)cn2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(C(=O)N4CCN(C)CC4)ccc3c12 |
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| InChI | InChI=1S/C32H29FN6O3/c1-18-21(4-3-5-25(18)37-31(41)26-11-7-20(33)17-35-26)22-9-10-24(30(34)40)29-28(22)23-8-6-19(16-27(23)36-29)32(42)39-14-12-38(2)13-15-39/h3-11,16-17,36H,12-15H2,1-2H3,(H2,34,40)(H,37,41) |
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| InChIKey | DPDBPPVFFUOMGZ-UHFFFAOYSA-N |
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| XLogP | 4.57 |
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| TPSA | 124.42 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 564.62 |
| LogP ≤ 5 | 4.57 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of 4-[3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The IUPAC name of 4-[3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide (CID 59375017) is 4-[3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide.
What is the SMILES notation for 4-[3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The canonical SMILES for 4-[3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is Cc1c(NC(=O)c2ccc(F)cn2)cccc1-c1ccc(C(N)=O)c2[nH]c3cc(C(=O)N4CCN(C)CC4)ccc3c12.
What is the InChIKey of 4-[3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
The InChIKey is DPDBPPVFFUOMGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H29FN6O3/c1-18-21(4-3-5-25(18)37-31(41)26-11-7-20(33)17-35-26)22-9-10-24(30(34)40)29-28(22)23-8-6-19(16-27(23)36-29)32(42)39-14-12-38(2)13-15-39/h3-11,16-17,36H,12-15H2,1-2H3,(H2,34,40)(H,37,41).
What are the key properties of 4-[3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide?
4-[3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide has a molecular weight of 564.62 g/mol, XLogP of 4.57, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(5-fluoropyridine-2-carbonyl)amino]-2-methylphenyl]-7-(4-methylpiperazine-1-carbonyl)-9H-carbazole-1-carboxamide is sourced from PubChem (CID 59375017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).