About N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide
N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide (PubChem CID 59159940) has the molecular formula C33H25F2N5O3
and a molecular weight of 577.59 g/mol. Its IUPAC name is N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide.
Molecular Properties
| Compound Name | N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide |
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| PubChem CID | 59159940 |
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| Molecular Formula | C33H25F2N5O3 |
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| Molecular Weight | 577.59 g/mol |
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| Exact Mass | 577.19 |
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| IUPAC Name | N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide |
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| SMILES | Cc1ccc(-c2cc3[nH]ncc3cc2Oc2ccc(NC(=O)c3c(C)cc(C)n(-c4ccc(F)cc4)c3=O)cc2F)cn1 |
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| InChI | InChI=1S/C33H25F2N5O3/c1-18-12-20(3)40(25-9-6-23(34)7-10-25)33(42)31(18)32(41)38-24-8-11-29(27(35)14-24)43-30-13-22-17-37-39-28(22)15-26(30)21-5-4-19(2)36-16-21/h4-17H,1-3H3,(H,37,39)(H,38,41) |
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| InChIKey | YAIZTRAVBINORT-UHFFFAOYSA-N |
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| XLogP | 7.02 |
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| TPSA | 101.90 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 43 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 577.59 |
| LogP ≤ 5 | 7.02 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide (CID 59159940) is N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide is Cc1ccc(-c2cc3[nH]ncc3cc2Oc2ccc(NC(=O)c3c(C)cc(C)n(-c4ccc(F)cc4)c3=O)cc2F)cn1.
What is the InChIKey of N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide?
The InChIKey is YAIZTRAVBINORT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25F2N5O3/c1-18-12-20(3)40(25-9-6-23(34)7-10-25)33(42)31(18)32(41)38-24-8-11-29(27(35)14-24)43-30-13-22-17-37-39-28(22)15-26(30)21-5-4-19(2)36-16-21/h4-17H,1-3H3,(H,37,39)(H,38,41).
What are the key properties of N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide?
N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide has a molecular weight of 577.59 g/mol, XLogP of 7.02, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[[6-(6-methyl-3-pyridinyl)-1H-indazol-5-yl]oxy]phenyl]-1-(4-fluorophenyl)-4,6-dimethyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 59159940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).