About 6-methoxy-2-methyl-4-[7-[4-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline
6-methoxy-2-methyl-4-[7-[4-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline (PubChem CID 139326703) has the molecular formula C35H35N7O
and a molecular weight of 569.71 g/mol. Its IUPAC name is 6-methoxy-2-methyl-4-[7-[4-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline.
Molecular Properties
| Compound Name | 6-methoxy-2-methyl-4-[7-[4-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline |
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| PubChem CID | 139326703 |
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| Molecular Formula | C35H35N7O |
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| Molecular Weight | 569.71 g/mol |
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| Exact Mass | 569.29 |
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| IUPAC Name | 6-methoxy-2-methyl-4-[7-[4-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline |
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| SMILES | CCCc1cnc(N2CCN(c3ccc(-c4ccn5c(-c6cc(C)nc7ccc(OC)cc67)cnc5c4)cc3)CC2)nc1 |
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| InChI | InChI=1S/C35H35N7O/c1-4-5-25-21-37-35(38-22-25)41-16-14-40(15-17-41)28-8-6-26(7-9-28)27-12-13-42-33(23-36-34(42)19-27)31-18-24(2)39-32-11-10-29(43-3)20-30(31)32/h6-13,18-23H,4-5,14-17H2,1-3H3 |
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| InChIKey | RJOGRYZQZUGBEG-UHFFFAOYSA-N |
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| XLogP | 6.60 |
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| TPSA | 71.68 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 43 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 569.71 |
| LogP ≤ 5 | 6.60 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 6-methoxy-2-methyl-4-[7-[4-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The IUPAC name of 6-methoxy-2-methyl-4-[7-[4-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline (CID 139326703) is 6-methoxy-2-methyl-4-[7-[4-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline.
What is the SMILES notation for 6-methoxy-2-methyl-4-[7-[4-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The canonical SMILES for 6-methoxy-2-methyl-4-[7-[4-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline is CCCc1cnc(N2CCN(c3ccc(-c4ccn5c(-c6cc(C)nc7ccc(OC)cc67)cnc5c4)cc3)CC2)nc1.
What is the InChIKey of 6-methoxy-2-methyl-4-[7-[4-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
The InChIKey is RJOGRYZQZUGBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H35N7O/c1-4-5-25-21-37-35(38-22-25)41-16-14-40(15-17-41)28-8-6-26(7-9-28)27-12-13-42-33(23-36-34(42)19-27)31-18-24(2)39-32-11-10-29(43-3)20-30(31)32/h6-13,18-23H,4-5,14-17H2,1-3H3.
What are the key properties of 6-methoxy-2-methyl-4-[7-[4-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline?
6-methoxy-2-methyl-4-[7-[4-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline has a molecular weight of 569.71 g/mol, XLogP of 6.60, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-4-[7-[4-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyridin-3-yl]quinoline is sourced from PubChem (CID 139326703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).