About N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide
N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide (PubChem CID 139431391) has the molecular formula C27H29F3N6O2
and a molecular weight of 526.56 g/mol. Its IUPAC name is N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide.
Molecular Properties
| Compound Name | N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide |
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| PubChem CID | 139431391 |
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| Molecular Formula | C27H29F3N6O2 |
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| Molecular Weight | 526.56 g/mol |
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| Exact Mass | 526.23 |
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| IUPAC Name | N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide |
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| SMILES | CC(C)(F)CN1CCC(n2cc(-c3ccc4[nH]nc(C(=O)Nc5ccc(OC(F)F)cc5)c4c3)cn2)CC1 |
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| InChI | InChI=1S/C27H29F3N6O2/c1-27(2,30)16-35-11-9-20(10-12-35)36-15-18(14-31-36)17-3-8-23-22(13-17)24(34-33-23)25(37)32-19-4-6-21(7-5-19)38-26(28)29/h3-8,13-15,20,26H,9-12,16H2,1-2H3,(H,32,37)(H,33,34) |
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| InChIKey | GLOLSCYLWUPVNW-UHFFFAOYSA-N |
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| XLogP | 5.67 |
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| TPSA | 88.07 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 526.56 |
| LogP ≤ 5 | 5.67 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide (CID 139431391) is N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide is CC(C)(F)CN1CCC(n2cc(-c3ccc4[nH]nc(C(=O)Nc5ccc(OC(F)F)cc5)c4c3)cn2)CC1.
What is the InChIKey of N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
The InChIKey is GLOLSCYLWUPVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29F3N6O2/c1-27(2,30)16-35-11-9-20(10-12-35)36-15-18(14-31-36)17-3-8-23-22(13-17)24(34-33-23)25(37)32-19-4-6-21(7-5-19)38-26(28)29/h3-8,13-15,20,26H,9-12,16H2,1-2H3,(H,32,37)(H,33,34).
What are the key properties of N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide?
N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide has a molecular weight of 526.56 g/mol, XLogP of 5.67, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(difluoromethoxy)phenyl]-5-[1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]pyrazol-4-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 139431391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).