About N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide
N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide (PubChem CID 134325446) has the molecular formula C29H36N6O2
and a molecular weight of 500.65 g/mol. Its IUPAC name is N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide.
Molecular Properties
| Compound Name | N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide |
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| PubChem CID | 134325446 |
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| Molecular Formula | C29H36N6O2 |
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| Molecular Weight | 500.65 g/mol |
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| Exact Mass | 500.29 |
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| IUPAC Name | N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide |
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| SMILES | Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4CCOC4C)CC3)c2)c1 |
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| InChI | InChI=1S/C29H36N6O2/c1-19-3-4-21(29(36)33-23-5-6-23)13-27(19)22-15-31-35(18-22)26-14-25(16-30-17-26)32-24-7-10-34(11-8-24)28-9-12-37-20(28)2/h3-4,13-18,20,23-24,28,32H,5-12H2,1-2H3,(H,33,36) |
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| InChIKey | GKEAABZHANHJTB-UHFFFAOYSA-N |
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| XLogP | 4.19 |
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| TPSA | 84.31 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 37 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 500.65 |
| LogP ≤ 5 | 4.19 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The IUPAC name of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide (CID 134325446) is N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The canonical SMILES for N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide is Cc1ccc(C(=O)NC2CC2)cc1-c1cnn(-c2cncc(NC3CCN(C4CCOC4C)CC3)c2)c1.
What is the InChIKey of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
The InChIKey is GKEAABZHANHJTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O2/c1-19-3-4-21(29(36)33-23-5-6-23)13-27(19)22-15-31-35(18-22)26-14-25(16-30-17-26)32-24-7-10-34(11-8-24)28-9-12-37-20(28)2/h3-4,13-18,20,23-24,28,32H,5-12H2,1-2H3,(H,33,36).
What are the key properties of N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide?
N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide has a molecular weight of 500.65 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-methyl-3-[1-[5-[[1-(2-methyloxolan-3-yl)piperidin-4-yl]amino]-3-pyridinyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 134325446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).