About 4-[7-[3-fluoro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline
4-[7-[3-fluoro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline (PubChem CID 146704256) has the molecular formula C33H29FN6
and a molecular weight of 528.64 g/mol. Its IUPAC name is 4-[7-[3-fluoro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline.
Molecular Properties
| Compound Name | 4-[7-[3-fluoro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline |
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| PubChem CID | 146704256 |
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| Molecular Formula | C33H29FN6 |
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| Molecular Weight | 528.64 g/mol |
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| Exact Mass | 528.24 |
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| IUPAC Name | 4-[7-[3-fluoro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline |
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| SMILES | Cc1nn2c(-c3ccnc4cc(-c5ccncc5)ccc34)cnc2cc1-c1ccc(CN2CCC[C@H]2C)c(F)c1 |
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| InChI | InChI=1S/C33H29FN6/c1-21-4-3-15-39(21)20-26-6-5-25(16-30(26)34)29-18-33-37-19-32(40(33)38-22(29)2)28-11-14-36-31-17-24(7-8-27(28)31)23-9-12-35-13-10-23/h5-14,16-19,21H,3-4,15,20H2,1-2H3/t21-/m1/s1 |
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| InChIKey | QXBQQUMMRVAREW-OAQYLSRUSA-N |
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| XLogP | 7.11 |
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| TPSA | 59.21 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 528.64 |
| LogP ≤ 5 | 7.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 4-[7-[3-fluoro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline with MolForge
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Frequently Asked Questions
What is the IUPAC name of 4-[7-[3-fluoro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline?
The IUPAC name of 4-[7-[3-fluoro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline (CID 146704256) is 4-[7-[3-fluoro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline.
What is the SMILES notation for 4-[7-[3-fluoro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline?
The canonical SMILES for 4-[7-[3-fluoro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline is Cc1nn2c(-c3ccnc4cc(-c5ccncc5)ccc34)cnc2cc1-c1ccc(CN2CCC[C@H]2C)c(F)c1.
What is the InChIKey of 4-[7-[3-fluoro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline?
The InChIKey is QXBQQUMMRVAREW-OAQYLSRUSA-N. The full InChI is InChI=1S/C33H29FN6/c1-21-4-3-15-39(21)20-26-6-5-25(16-30(26)34)29-18-33-37-19-32(40(33)38-22(29)2)28-11-14-36-31-17-24(7-8-27(28)31)23-9-12-35-13-10-23/h5-14,16-19,21H,3-4,15,20H2,1-2H3/t21-/m1/s1.
What are the key properties of 4-[7-[3-fluoro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline?
4-[7-[3-fluoro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline has a molecular weight of 528.64 g/mol, XLogP of 7.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[3-fluoro-4-[[(2R)-2-methylpyrrolidin-1-yl]methyl]phenyl]-6-methylimidazo[1,2-b]pyridazin-3-yl]-7-pyridin-4-ylquinoline is sourced from PubChem (CID 146704256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).