About 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(2-methyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine
5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(2-methyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine (PubChem CID 164709709) has the molecular formula C24H28FN7S
and a molecular weight of 465.60 g/mol. Its IUPAC name is 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(2-methyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine.
Molecular Properties
| Compound Name | 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(2-methyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine |
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| PubChem CID | 164709709 |
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| Molecular Formula | C24H28FN7S |
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| Molecular Weight | 465.60 g/mol |
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| Exact Mass | 465.21 |
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| IUPAC Name | 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(2-methyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine |
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| SMILES | CC(C)c1c2sc(-c3nc(Nc4ccc(C5CCN(C)CC5)cn4)ncc3F)cc2nn1C |
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| InChI | InChI=1S/C24H28FN7S/c1-14(2)22-23-18(30-32(22)4)11-19(33-23)21-17(25)13-27-24(29-21)28-20-6-5-16(12-26-20)15-7-9-31(3)10-8-15/h5-6,11-15H,7-10H2,1-4H3,(H,26,27,28,29) |
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| InChIKey | BKOOLLRJJOFPDK-UHFFFAOYSA-N |
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| XLogP | 5.30 |
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| TPSA | 71.76 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 33 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 465.60 |
| LogP ≤ 5 | 5.30 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(2-methyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(2-methyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(2-methyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine (CID 164709709) is 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(2-methyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(2-methyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(2-methyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine is CC(C)c1c2sc(-c3nc(Nc4ccc(C5CCN(C)CC5)cn4)ncc3F)cc2nn1C.
What is the InChIKey of 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(2-methyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine?
The InChIKey is BKOOLLRJJOFPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN7S/c1-14(2)22-23-18(30-32(22)4)11-19(33-23)21-17(25)13-27-24(29-21)28-20-6-5-16(12-26-20)15-7-9-31(3)10-8-15/h5-6,11-15H,7-10H2,1-4H3,(H,26,27,28,29).
What are the key properties of 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(2-methyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine?
5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(2-methyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine has a molecular weight of 465.60 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[5-(1-methylpiperidin-4-yl)-2-pyridinyl]-4-(2-methyl-3-propan-2-ylthieno[3,2-c]pyrazol-5-yl)pyrimidin-2-amine is sourced from PubChem (CID 164709709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).