About 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine (PubChem CID 67029098) has the molecular formula C33H35FN8
and a molecular weight of 562.70 g/mol. Its IUPAC name is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine.
Molecular Properties
| Compound Name | 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine |
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| PubChem CID | 67029098 |
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| Molecular Formula | C33H35FN8 |
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| Molecular Weight | 562.70 g/mol |
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| Exact Mass | 562.30 |
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| IUPAC Name | 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine |
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| SMILES | CC(C)N1CCN(c2cc(-c3cccc(-c4cnc5ccc(N6CCC[C@@H]6c6cccc(F)c6)nn45)n3)ccn2)CC1 |
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| InChI | InChI=1S/C33H35FN8/c1-23(2)39-16-18-40(19-17-39)33-21-24(13-14-35-33)27-8-4-9-28(37-27)30-22-36-31-11-12-32(38-42(30)31)41-15-5-10-29(41)25-6-3-7-26(34)20-25/h3-4,6-9,11-14,20-23,29H,5,10,15-19H2,1-2H3/t29-/m1/s1 |
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| InChIKey | CIYUYRIWKZTBRK-GDLZYMKVSA-N |
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| XLogP | 5.86 |
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| TPSA | 65.69 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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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
2 violations
| Rule | Value |
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| MW ≤ 500 | 562.70 |
| LogP ≤ 5 | 5.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine?
The IUPAC name of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine (CID 67029098) is 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine.
What is the SMILES notation for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine?
The canonical SMILES for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine is CC(C)N1CCN(c2cc(-c3cccc(-c4cnc5ccc(N6CCC[C@@H]6c6cccc(F)c6)nn45)n3)ccn2)CC1.
What is the InChIKey of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine?
The InChIKey is CIYUYRIWKZTBRK-GDLZYMKVSA-N. The full InChI is InChI=1S/C33H35FN8/c1-23(2)39-16-18-40(19-17-39)33-21-24(13-14-35-33)27-8-4-9-28(37-27)30-22-36-31-11-12-32(38-42(30)31)41-15-5-10-29(41)25-6-3-7-26(34)20-25/h3-4,6-9,11-14,20-23,29H,5,10,15-19H2,1-2H3/t29-/m1/s1.
What are the key properties of 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine?
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine has a molecular weight of 562.70 g/mol, XLogP of 5.86, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-3-[6-[2-(4-propan-2-ylpiperazin-1-yl)-4-pyridinyl]-2-pyridinyl]imidazo[1,2-b]pyridazine is sourced from PubChem (CID 67029098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).