About 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline
7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline (PubChem CID 142464278) has the molecular formula C32H39FN6O3
and a molecular weight of 574.70 g/mol. Its IUPAC name is 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline.
Molecular Properties
| Compound Name | 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline |
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| PubChem CID | 142464278 |
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| Molecular Formula | C32H39FN6O3 |
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| Molecular Weight | 574.70 g/mol |
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| Exact Mass | 574.31 |
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| IUPAC Name | 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline |
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| SMILES | COc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cc(OC5CCOCC5)c34)ccnc2cc1F |
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| InChI | InChI=1S/C32H39FN6O3/c1-36-11-13-38(14-12-36)22-4-9-37(10-5-22)23-17-31(42-24-6-15-41-16-7-24)32-27(20-35-39(32)21-23)25-3-8-34-29-19-28(33)30(40-2)18-26(25)29/h3,8,17-22,24H,4-7,9-16H2,1-2H3 |
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| InChIKey | QVOBWXCYQKVMAD-UHFFFAOYSA-N |
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| XLogP | 4.47 |
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| TPSA | 67.60 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 9 |
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| Rotatable Bonds | 6 |
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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 | 574.70 |
| LogP ≤ 5 | 4.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline with MolForge
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Frequently Asked Questions
What is the IUPAC name of 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline?
The IUPAC name of 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline (CID 142464278) is 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline?
The canonical SMILES for 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline is COc1cc2c(-c3cnn4cc(N5CCC(N6CCN(C)CC6)CC5)cc(OC5CCOCC5)c34)ccnc2cc1F.
What is the InChIKey of 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline?
The InChIKey is QVOBWXCYQKVMAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H39FN6O3/c1-36-11-13-38(14-12-36)22-4-9-37(10-5-22)23-17-31(42-24-6-15-41-16-7-24)32-27(20-35-39(32)21-23)25-3-8-34-29-19-28(33)30(40-2)18-26(25)29/h3,8,17-22,24H,4-7,9-16H2,1-2H3.
What are the key properties of 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline?
7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline has a molecular weight of 574.70 g/mol, XLogP of 4.47, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-methoxy-4-[6-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-(oxan-4-yloxy)pyrazolo[1,5-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 142464278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).