About N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide
N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide (PubChem CID 146437631) has the molecular formula C26H32F2N8O2
and a molecular weight of 526.59 g/mol. Its IUPAC name is N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide.
Molecular Properties
| Compound Name | N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide |
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| PubChem CID | 146437631 |
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| Molecular Formula | C26H32F2N8O2 |
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| Molecular Weight | 526.59 g/mol |
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| Exact Mass | 526.26 |
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| IUPAC Name | N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide |
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| SMILES | CC(=O)N1CCC(N2CC(n3cc(NC(=O)c4cccc(-c5cnn(C(C)C)c5)n4)c(C(F)F)n3)C2)CC1 |
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| InChI | InChI=1S/C26H32F2N8O2/c1-16(2)35-12-18(11-29-35)21-5-4-6-22(30-21)26(38)31-23-15-36(32-24(23)25(27)28)20-13-34(14-20)19-7-9-33(10-8-19)17(3)37/h4-6,11-12,15-16,19-20,25H,7-10,13-14H2,1-3H3,(H,31,38) |
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| InChIKey | VMLJRVFVDQYIIS-UHFFFAOYSA-N |
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| XLogP | 3.78 |
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| TPSA | 101.18 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 7 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 526.59 |
| LogP ≤ 5 | 3.78 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide?
The IUPAC name of N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide (CID 146437631) is N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide?
The canonical SMILES for N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide is CC(=O)N1CCC(N2CC(n3cc(NC(=O)c4cccc(-c5cnn(C(C)C)c5)n4)c(C(F)F)n3)C2)CC1.
What is the InChIKey of N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide?
The InChIKey is VMLJRVFVDQYIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32F2N8O2/c1-16(2)35-12-18(11-29-35)21-5-4-6-22(30-21)26(38)31-23-15-36(32-24(23)25(27)28)20-13-34(14-20)19-7-9-33(10-8-19)17(3)37/h4-6,11-12,15-16,19-20,25H,7-10,13-14H2,1-3H3,(H,31,38).
What are the key properties of N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide?
N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide has a molecular weight of 526.59 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(1-acetylpiperidin-4-yl)azetidin-3-yl]-3-(difluoromethyl)pyrazol-4-yl]-6-(1-propan-2-ylpyrazol-4-yl)pyridine-2-carboxamide is sourced from PubChem (CID 146437631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).