About 8-cyclopentyl-5-(4-methylsulfonylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one
8-cyclopentyl-5-(4-methylsulfonylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 156767153) has the molecular formula C32H37N5O3S
and a molecular weight of 571.75 g/mol. Its IUPAC name is 8-cyclopentyl-5-(4-methylsulfonylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one.
Molecular Properties
| Compound Name | 8-cyclopentyl-5-(4-methylsulfonylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one |
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| PubChem CID | 156767153 |
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| Molecular Formula | C32H37N5O3S |
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| Molecular Weight | 571.75 g/mol |
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| Exact Mass | 571.26 |
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| IUPAC Name | 8-cyclopentyl-5-(4-methylsulfonylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one |
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| SMILES | CS(=O)(=O)c1ccc(-c2cc(=O)n(C3CCCC3)c3nc(N4CCC(NCCc5ccccc5)CC4)ncc23)cc1 |
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| InChI | InChI=1S/C32H37N5O3S/c1-41(39,40)27-13-11-24(12-14-27)28-21-30(38)37(26-9-5-6-10-26)31-29(28)22-34-32(35-31)36-19-16-25(17-20-36)33-18-15-23-7-3-2-4-8-23/h2-4,7-8,11-14,21-22,25-26,33H,5-6,9-10,15-20H2,1H3 |
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| InChIKey | DREZMJRPWYUODY-UHFFFAOYSA-N |
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| XLogP | 4.78 |
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| TPSA | 97.19 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 571.75 |
| LogP ≤ 5 | 4.78 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of 8-cyclopentyl-5-(4-methylsulfonylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 8-cyclopentyl-5-(4-methylsulfonylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one (CID 156767153) is 8-cyclopentyl-5-(4-methylsulfonylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 8-cyclopentyl-5-(4-methylsulfonylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 8-cyclopentyl-5-(4-methylsulfonylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one is CS(=O)(=O)c1ccc(-c2cc(=O)n(C3CCCC3)c3nc(N4CCC(NCCc5ccccc5)CC4)ncc23)cc1.
What is the InChIKey of 8-cyclopentyl-5-(4-methylsulfonylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is DREZMJRPWYUODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H37N5O3S/c1-41(39,40)27-13-11-24(12-14-27)28-21-30(38)37(26-9-5-6-10-26)31-29(28)22-34-32(35-31)36-19-16-25(17-20-36)33-18-15-23-7-3-2-4-8-23/h2-4,7-8,11-14,21-22,25-26,33H,5-6,9-10,15-20H2,1H3.
What are the key properties of 8-cyclopentyl-5-(4-methylsulfonylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one?
8-cyclopentyl-5-(4-methylsulfonylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 571.75 g/mol, XLogP of 4.78, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-5-(4-methylsulfonylphenyl)-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 156767153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).