About ethyl 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate
ethyl 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate (PubChem CID 126741970) has the molecular formula C32H42N6O4
and a molecular weight of 574.73 g/mol. Its IUPAC name is ethyl 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate.
Molecular Properties
| Compound Name | ethyl 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate |
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| PubChem CID | 126741970 |
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| Molecular Formula | C32H42N6O4 |
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| Molecular Weight | 574.73 g/mol |
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| Exact Mass | 574.33 |
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| IUPAC Name | ethyl 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate |
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| SMILES | CCOC(=O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccnc(C4CCOCC4)c3)c2n1 |
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| InChI | InChI=1S/C32H42N6O4/c1-2-42-32(39)27-21-28(37-12-7-24(8-13-37)36-14-18-41-19-15-36)29-30(23-4-3-5-23)35-38(31(29)34-27)25-6-11-33-26(20-25)22-9-16-40-17-10-22/h6,11,20-24H,2-5,7-10,12-19H2,1H3 |
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| InChIKey | QBUSGZSJXBMXCR-UHFFFAOYSA-N |
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| XLogP | 4.45 |
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| TPSA | 94.84 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 10 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 42 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 574.73 |
| LogP ≤ 5 | 4.45 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
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Frequently Asked Questions
What is the IUPAC name of ethyl 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate?
The IUPAC name of ethyl 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate (CID 126741970) is ethyl 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate.
What is the SMILES notation for ethyl 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate?
The canonical SMILES for ethyl 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate is CCOC(=O)c1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccnc(C4CCOCC4)c3)c2n1.
What is the InChIKey of ethyl 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate?
The InChIKey is QBUSGZSJXBMXCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N6O4/c1-2-42-32(39)27-21-28(37-12-7-24(8-13-37)36-14-18-41-19-15-36)29-30(23-4-3-5-23)35-38(31(29)34-27)25-6-11-33-26(20-25)22-9-16-40-17-10-22/h6,11,20-24H,2-5,7-10,12-19H2,1H3.
What are the key properties of ethyl 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate?
ethyl 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate has a molecular weight of 574.73 g/mol, XLogP of 4.45, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylate is sourced from PubChem (CID 126741970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).