About 3-cyclobutyl-5-ethyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid
3-cyclobutyl-5-ethyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid (PubChem CID 126752456) has the molecular formula C32H42N6O4
and a molecular weight of 574.73 g/mol. Its IUPAC name is 3-cyclobutyl-5-ethyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid.
Molecular Properties
| Compound Name | 3-cyclobutyl-5-ethyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid |
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| PubChem CID | 126752456 |
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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 | 3-cyclobutyl-5-ethyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid |
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| SMILES | CCc1c(C(=O)O)nc2c(c(C3CCC3)nn2-c2ccnc(C3CCOCC3)c2)c1N1CCC(N2CCOCC2)CC1 |
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| InChI | InChI=1S/C32H42N6O4/c1-2-25-29(32(39)40)34-31-27(30(25)37-12-7-23(8-13-37)36-14-18-42-19-15-36)28(22-4-3-5-22)35-38(31)24-6-11-33-26(20-24)21-9-16-41-17-10-21/h6,11,20-23H,2-5,7-10,12-19H2,1H3,(H,39,40) |
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| InChIKey | CUXJZOVMAJTCFV-UHFFFAOYSA-N |
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| XLogP | 4.54 |
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| TPSA | 105.84 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 9 |
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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 | 4.54 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 9 |
Analyze 3-cyclobutyl-5-ethyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid with MolForge
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Frequently Asked Questions
What is the IUPAC name of 3-cyclobutyl-5-ethyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The IUPAC name of 3-cyclobutyl-5-ethyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid (CID 126752456) is 3-cyclobutyl-5-ethyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-cyclobutyl-5-ethyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The canonical SMILES for 3-cyclobutyl-5-ethyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid is CCc1c(C(=O)O)nc2c(c(C3CCC3)nn2-c2ccnc(C3CCOCC3)c2)c1N1CCC(N2CCOCC2)CC1.
What is the InChIKey of 3-cyclobutyl-5-ethyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?
The InChIKey is CUXJZOVMAJTCFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N6O4/c1-2-25-29(32(39)40)34-31-27(30(25)37-12-7-23(8-13-37)36-14-18-42-19-15-36)28(22-4-3-5-22)35-38(31)24-6-11-33-26(20-24)21-9-16-41-17-10-21/h6,11,20-23H,2-5,7-10,12-19H2,1H3,(H,39,40).
What are the key properties of 3-cyclobutyl-5-ethyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid?
3-cyclobutyl-5-ethyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid has a molecular weight of 574.73 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5-ethyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[5,4-b]pyridine-6-carboxylic acid is sourced from PubChem (CID 126752456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).