About 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine
5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine (PubChem CID 156725863) has the molecular formula C32H34FN9O
and a molecular weight of 579.68 g/mol. Its IUPAC name is 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine.
Molecular Properties
| Compound Name | 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine |
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| PubChem CID | 156725863 |
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| Molecular Formula | C32H34FN9O |
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| Molecular Weight | 579.68 g/mol |
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| Exact Mass | 579.29 |
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| IUPAC Name | 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine |
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| SMILES | Fc1cnc(Nc2ccc(N3CCN(CCN4CCOCC4)CC3)nc2)nc1-c1cnc2ccc(-c3ccccc3)cn12 |
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| InChI | InChI=1S/C32H34FN9O/c33-27-21-36-32(38-31(27)28-22-35-30-8-6-25(23-42(28)30)24-4-2-1-3-5-24)37-26-7-9-29(34-20-26)41-14-12-39(13-15-41)10-11-40-16-18-43-19-17-40/h1-9,20-23H,10-19H2,(H,36,37,38) |
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| InChIKey | HSVQAYIVEPOMDM-UHFFFAOYSA-N |
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| XLogP | 4.19 |
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| TPSA | 86.95 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 43 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 579.68 |
| LogP ≤ 5 | 4.19 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 10 |
Analyze 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine (CID 156725863) is 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine is Fc1cnc(Nc2ccc(N3CCN(CCN4CCOCC4)CC3)nc2)nc1-c1cnc2ccc(-c3ccccc3)cn12.
What is the InChIKey of 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?
The InChIKey is HSVQAYIVEPOMDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34FN9O/c33-27-21-36-32(38-31(27)28-22-35-30-8-6-25(23-42(28)30)24-4-2-1-3-5-24)37-26-7-9-29(34-20-26)41-14-12-39(13-15-41)10-11-40-16-18-43-19-17-40/h1-9,20-23H,10-19H2,(H,36,37,38).
What are the key properties of 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine?
5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine has a molecular weight of 579.68 g/mol, XLogP of 4.19, 8 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[6-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-pyridinyl]-4-(6-phenylimidazo[1,2-a]pyridin-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 156725863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).