About N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide
N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide (PubChem CID 136935844) has the molecular formula C29H23F2N7OS
and a molecular weight of 555.61 g/mol. Its IUPAC name is N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide.
Molecular Properties
| Compound Name | N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide |
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| PubChem CID | 136935844 |
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| Molecular Formula | C29H23F2N7OS |
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| Molecular Weight | 555.61 g/mol |
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| Exact Mass | 555.17 |
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| IUPAC Name | N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide |
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| SMILES | O=C(Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1)C1CCCCC1 |
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| InChI | InChI=1S/C29H23F2N7OS/c30-20-12-16(17-10-18(14-32-13-17)34-29(39)15-4-2-1-3-5-15)11-19-24(20)37-38-25(19)28-35-21-8-9-33-27(26(21)36-28)22-6-7-23(31)40-22/h6-15H,1-5H2,(H,34,39)(H,35,36)(H,37,38) |
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| InChIKey | NFRPMTIUCQMBRT-UHFFFAOYSA-N |
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| XLogP | 7.09 |
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| TPSA | 112.24 Ų |
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| H-Bond Donors | 3 |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 5 |
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| Heavy Atoms | 40 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 555.61 |
| LogP ≤ 5 | 7.09 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide with MolForge
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Frequently Asked Questions
What is the IUPAC name of N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The IUPAC name of N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide (CID 136935844) is N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide is O=C(Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6ccc(F)s6)nccc5[nH]4)c3c2)c1)C1CCCCC1.
What is the InChIKey of N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
The InChIKey is NFRPMTIUCQMBRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23F2N7OS/c30-20-12-16(17-10-18(14-32-13-17)34-29(39)15-4-2-1-3-5-15)11-19-24(20)37-38-25(19)28-35-21-8-9-33-27(26(21)36-28)22-6-7-23(31)40-22/h6-15H,1-5H2,(H,34,39)(H,35,36)(H,37,38).
What are the key properties of N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide?
N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide has a molecular weight of 555.61 g/mol, XLogP of 7.09, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[7-fluoro-3-[4-(5-fluorothiophen-2-yl)-1H-imidazo[4,5-c]pyridin-2-yl]-2H-indazol-5-yl]-3-pyridinyl]cyclohexanecarboxamide is sourced from PubChem (CID 136935844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).