About 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide
2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide (PubChem CID 91174177) has the molecular formula C28H26FN7O
and a molecular weight of 495.56 g/mol. Its IUPAC name is 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide.
Molecular Properties
| Compound Name | 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide |
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| PubChem CID | 91174177 |
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| Molecular Formula | C28H26FN7O |
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| Molecular Weight | 495.56 g/mol |
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| Exact Mass | 495.22 |
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| IUPAC Name | 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide |
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| SMILES | CCn1nc(C)cc1C(=O)Nc1cc(Nc2ccc3c(C=Cc4ccccn4)n[nH]c3c2)c(F)cc1C |
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| InChI | InChI=1S/C28H26FN7O/c1-4-36-27(14-18(3)35-36)28(37)32-24-16-26(22(29)13-17(24)2)31-20-8-10-21-23(33-34-25(21)15-20)11-9-19-7-5-6-12-30-19/h5-16,31H,4H2,1-3H3,(H,32,37)(H,33,34) |
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| InChIKey | MGMPLTIIDFSKQV-UHFFFAOYSA-N |
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| XLogP | 6.10 |
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| TPSA | 100.52 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 6 |
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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 | 495.56 |
| LogP ≤ 5 | 6.10 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide (CID 91174177) is 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1cc(Nc2ccc3c(C=Cc4ccccn4)n[nH]c3c2)c(F)cc1C.
What is the InChIKey of 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide?
The InChIKey is MGMPLTIIDFSKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26FN7O/c1-4-36-27(14-18(3)35-36)28(37)32-24-16-26(22(29)13-17(24)2)31-20-8-10-21-23(33-34-25(21)15-20)11-9-19-7-5-6-12-30-19/h5-16,31H,4H2,1-3H3,(H,32,37)(H,33,34).
What are the key properties of 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide?
2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide has a molecular weight of 495.56 g/mol, XLogP of 6.10, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-fluoro-2-methyl-5-[[3-(2-pyridin-2-ylethenyl)-1H-indazol-6-yl]amino]phenyl]-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 91174177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).