About 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)quinoline-3-carbonitrile
4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)quinoline-3-carbonitrile (PubChem CID 171527210) has the molecular formula C25H16ClFN6
and a molecular weight of 454.90 g/mol. Its IUPAC name is 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)quinoline-3-carbonitrile.
Molecular Properties
| Compound Name | 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)quinoline-3-carbonitrile |
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| PubChem CID | 171527210 |
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| Molecular Formula | C25H16ClFN6 |
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| Molecular Weight | 454.90 g/mol |
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| Exact Mass | 454.11 |
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| IUPAC Name | 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)quinoline-3-carbonitrile |
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| SMILES | Cn1ncc2ncc(-c3ccc4ncc(C#N)c(N5CCc6cc(F)c(Cl)cc65)c4c3)cc21 |
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| InChI | InChI=1S/C25H16ClFN6/c1-32-24-8-16(11-30-22(24)13-31-32)14-2-3-21-18(6-14)25(17(10-28)12-29-21)33-5-4-15-7-20(27)19(26)9-23(15)33/h2-3,6-9,11-13H,4-5H2,1H3 |
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| InChIKey | QNZVKXCPKAWKGE-UHFFFAOYSA-N |
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| XLogP | 5.54 |
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| TPSA | 70.63 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 2 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 454.90 |
| LogP ≤ 5 | 5.54 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)quinoline-3-carbonitrile?
The IUPAC name of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)quinoline-3-carbonitrile (CID 171527210) is 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)quinoline-3-carbonitrile.
What is the SMILES notation for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)quinoline-3-carbonitrile?
The canonical SMILES for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)quinoline-3-carbonitrile is Cn1ncc2ncc(-c3ccc4ncc(C#N)c(N5CCc6cc(F)c(Cl)cc65)c4c3)cc21.
What is the InChIKey of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)quinoline-3-carbonitrile?
The InChIKey is QNZVKXCPKAWKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16ClFN6/c1-32-24-8-16(11-30-22(24)13-31-32)14-2-3-21-18(6-14)25(17(10-28)12-29-21)33-5-4-15-7-20(27)19(26)9-23(15)33/h2-3,6-9,11-13H,4-5H2,1H3.
What are the key properties of 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)quinoline-3-carbonitrile?
4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)quinoline-3-carbonitrile has a molecular weight of 454.90 g/mol, XLogP of 5.54, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-5-fluoro-2,3-dihydroindol-1-yl)-6-(1-methylpyrazolo[4,5-b]pyridin-6-yl)quinoline-3-carbonitrile is sourced from PubChem (CID 171527210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).