About ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate
ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126742259) has the molecular formula C26H33N5O3
and a molecular weight of 463.58 g/mol. Its IUPAC name is ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate.
Molecular Properties
| Compound Name | ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate |
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| PubChem CID | 126742259 |
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| Molecular Formula | C26H33N5O3 |
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| Molecular Weight | 463.58 g/mol |
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| Exact Mass | 463.26 |
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| IUPAC Name | ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate |
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| SMILES | CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C3CCC3)nn(-c3ccnc(C)c3)c2n1 |
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| InChI | InChI=1S/C26H33N5O3/c1-4-34-26(32)21-15-22(30-12-9-18(10-13-30)16-33-3)23-24(19-6-5-7-19)29-31(25(23)28-21)20-8-11-27-17(2)14-20/h8,11,14-15,18-19H,4-7,9-10,12-13,16H2,1-3H3 |
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| InChIKey | OPNQGJZNJHUSQQ-UHFFFAOYSA-N |
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| XLogP | 4.43 |
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| TPSA | 82.37 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 | 34 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 463.58 |
| LogP ≤ 5 | 4.43 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate (CID 126742259) is ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)c1cc(N2CCC(COC)CC2)c2c(C3CCC3)nn(-c3ccnc(C)c3)c2n1.
What is the InChIKey of ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is OPNQGJZNJHUSQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-4-34-26(32)21-15-22(30-12-9-18(10-13-30)16-33-3)23-24(19-6-5-7-19)29-31(25(23)28-21)20-8-11-27-17(2)14-20/h8,11,14-15,18-19H,4-7,9-10,12-13,16H2,1-3H3.
What are the key properties of ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate?
ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 463.58 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclobutyl-4-[4-(methoxymethyl)piperidin-1-yl]-1-(2-methyl-4-pyridinyl)pyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126742259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).