About N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide
N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide (PubChem CID 136935806) has the molecular formula C30H20FN7OS
and a molecular weight of 545.60 g/mol. Its IUPAC name is N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide.
Molecular Properties
| Compound Name | N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide |
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| PubChem CID | 136935806 |
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| Molecular Formula | C30H20FN7OS |
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| Molecular Weight | 545.60 g/mol |
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| Exact Mass | 545.14 |
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| IUPAC Name | N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide |
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| SMILES | O=C(Cc1ccccc1)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6cccs6)nccc5[nH]4)c3c2)c1 |
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| InChI | InChI=1S/C30H20FN7OS/c31-22-14-18(19-12-20(16-32-15-19)34-25(39)11-17-5-2-1-3-6-17)13-21-26(22)37-38-27(21)30-35-23-8-9-33-29(28(23)36-30)24-7-4-10-40-24/h1-10,12-16H,11H2,(H,34,39)(H,35,36)(H,37,38) |
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| InChIKey | IOHJTXQAHCAJPJ-UHFFFAOYSA-N |
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| XLogP | 6.61 |
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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 | 6 |
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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 | 545.60 |
| LogP ≤ 5 | 6.61 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
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Frequently Asked Questions
What is the IUPAC name of N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?
The IUPAC name of N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide (CID 136935806) is N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?
The canonical SMILES for N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide is O=C(Cc1ccccc1)Nc1cncc(-c2cc(F)c3n[nH]c(-c4nc5c(-c6cccs6)nccc5[nH]4)c3c2)c1.
What is the InChIKey of N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?
The InChIKey is IOHJTXQAHCAJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20FN7OS/c31-22-14-18(19-12-20(16-32-15-19)34-25(39)11-17-5-2-1-3-6-17)13-21-26(22)37-38-27(21)30-35-23-8-9-33-29(28(23)36-30)24-7-4-10-40-24/h1-10,12-16H,11H2,(H,34,39)(H,35,36)(H,37,38).
What are the key properties of N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide?
N-[5-[7-fluoro-3-(4-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide has a molecular weight of 545.60 g/mol, XLogP of 6.61, 6 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-thiophen-2-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 136935806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).