About N-[(2-methylpropan-2-yl)oxy]-N-[1-[1-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carbonyl]piperidin-2-yl]cyclopropyl]formamide
N-[(2-methylpropan-2-yl)oxy]-N-[1-[1-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carbonyl]piperidin-2-yl]cyclopropyl]formamide (PubChem CID 87749340) has the molecular formula C28H34N6O3
and a molecular weight of 502.62 g/mol. Its IUPAC name is N-[(2-methylpropan-2-yl)oxy]-N-[1-[1-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carbonyl]piperidin-2-yl]cyclopropyl]formamide.
Molecular Properties
| Compound Name | N-[(2-methylpropan-2-yl)oxy]-N-[1-[1-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carbonyl]piperidin-2-yl]cyclopropyl]formamide |
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| PubChem CID | 87749340 |
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| Molecular Formula | C28H34N6O3 |
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| Molecular Weight | 502.62 g/mol |
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| Exact Mass | 502.27 |
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| IUPAC Name | N-[(2-methylpropan-2-yl)oxy]-N-[1-[1-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carbonyl]piperidin-2-yl]cyclopropyl]formamide |
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| SMILES | Cc1ccc(-c2cc(C(=O)N3CCCCC3C3(N(C=O)OC(C)(C)C)CC3)nn2-c2cccnc2)nc1 |
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| InChI | InChI=1S/C28H34N6O3/c1-20-10-11-22(30-17-20)24-16-23(31-34(24)21-8-7-14-29-18-21)26(36)32-15-6-5-9-25(32)28(12-13-28)33(19-35)37-27(2,3)4/h7-8,10-11,14,16-19,25H,5-6,9,12-13,15H2,1-4H3 |
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| InChIKey | ABRVVZDRUQBVAK-UHFFFAOYSA-N |
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| XLogP | 4.35 |
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| TPSA | 93.45 Ų |
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| H-Bond Donors | |
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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 | 502.62 |
| LogP ≤ 5 | 4.35 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of N-[(2-methylpropan-2-yl)oxy]-N-[1-[1-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carbonyl]piperidin-2-yl]cyclopropyl]formamide?
The IUPAC name of N-[(2-methylpropan-2-yl)oxy]-N-[1-[1-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carbonyl]piperidin-2-yl]cyclopropyl]formamide (CID 87749340) is N-[(2-methylpropan-2-yl)oxy]-N-[1-[1-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carbonyl]piperidin-2-yl]cyclopropyl]formamide.
What is the SMILES notation for N-[(2-methylpropan-2-yl)oxy]-N-[1-[1-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carbonyl]piperidin-2-yl]cyclopropyl]formamide?
The canonical SMILES for N-[(2-methylpropan-2-yl)oxy]-N-[1-[1-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carbonyl]piperidin-2-yl]cyclopropyl]formamide is Cc1ccc(-c2cc(C(=O)N3CCCCC3C3(N(C=O)OC(C)(C)C)CC3)nn2-c2cccnc2)nc1.
What is the InChIKey of N-[(2-methylpropan-2-yl)oxy]-N-[1-[1-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carbonyl]piperidin-2-yl]cyclopropyl]formamide?
The InChIKey is ABRVVZDRUQBVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O3/c1-20-10-11-22(30-17-20)24-16-23(31-34(24)21-8-7-14-29-18-21)26(36)32-15-6-5-9-25(32)28(12-13-28)33(19-35)37-27(2,3)4/h7-8,10-11,14,16-19,25H,5-6,9,12-13,15H2,1-4H3.
What are the key properties of N-[(2-methylpropan-2-yl)oxy]-N-[1-[1-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carbonyl]piperidin-2-yl]cyclopropyl]formamide?
N-[(2-methylpropan-2-yl)oxy]-N-[1-[1-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carbonyl]piperidin-2-yl]cyclopropyl]formamide has a molecular weight of 502.62 g/mol, XLogP of 4.35, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpropan-2-yl)oxy]-N-[1-[1-[5-(5-methyl-2-pyridinyl)-1-pyridin-3-ylpyrazole-3-carbonyl]piperidin-2-yl]cyclopropyl]formamide is sourced from PubChem (CID 87749340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).