About N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-7-methyl-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-7-methyl-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 145254115) has the molecular formula C35H32FN5O2
and a molecular weight of 573.67 g/mol. Its IUPAC name is N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-7-methyl-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide.
Molecular Properties
| Compound Name | N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-7-methyl-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide |
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| PubChem CID | 145254115 |
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| Molecular Formula | C35H32FN5O2 |
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| Molecular Weight | 573.67 g/mol |
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| Exact Mass | 573.25 |
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| IUPAC Name | N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-7-methyl-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide |
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| SMILES | COc1cc(F)cc(-c2ccc(C)c3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCCCC7)c6)cc45)cc23)c1 |
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| InChI | InChI=1S/C35H32FN5O2/c1-20-8-10-28(23-12-25(36)16-27(14-23)43-2)29-17-32(39-33(20)29)34-30-15-22(9-11-31(30)40-41-34)24-13-26(19-37-18-24)38-35(42)21-6-4-3-5-7-21/h8-19,21,39H,3-7H2,1-2H3,(H,38,42)(H,40,41) |
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| InChIKey | YPZNOTDOYMFZKK-UHFFFAOYSA-N |
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| XLogP | 8.42 |
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| TPSA | 95.69 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 4 |
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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 | 573.67 |
| LogP ≤ 5 | 8.42 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 4 |
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Frequently Asked Questions
What is the IUPAC name of N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-7-methyl-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-7-methyl-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide (CID 145254115) is N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-7-methyl-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-7-methyl-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-7-methyl-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide is COc1cc(F)cc(-c2ccc(C)c3[nH]c(-c4n[nH]c5ccc(-c6cncc(NC(=O)C7CCCCC7)c6)cc45)cc23)c1.
What is the InChIKey of N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-7-methyl-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is YPZNOTDOYMFZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32FN5O2/c1-20-8-10-28(23-12-25(36)16-27(14-23)43-2)29-17-32(39-33(20)29)34-30-15-22(9-11-31(30)40-41-34)24-13-26(19-37-18-24)38-35(42)21-6-4-3-5-7-21/h8-19,21,39H,3-7H2,1-2H3,(H,38,42)(H,40,41).
What are the key properties of N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-7-methyl-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-7-methyl-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 573.67 g/mol, XLogP of 8.42, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[4-(3-fluoro-5-methoxyphenyl)-7-methyl-1H-indol-2-yl]-1H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 145254115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).