About 1-cyclopentyl-N-[[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine
1-cyclopentyl-N-[[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine (PubChem CID 136935758) has the molecular formula C29H26FN7S
and a molecular weight of 523.64 g/mol. Its IUPAC name is 1-cyclopentyl-N-[[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine.
Molecular Properties
| Compound Name | 1-cyclopentyl-N-[[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine |
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| PubChem CID | 136935758 |
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| Molecular Formula | C29H26FN7S |
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| Molecular Weight | 523.64 g/mol |
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| Exact Mass | 523.20 |
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| IUPAC Name | 1-cyclopentyl-N-[[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine |
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| SMILES | Fc1cc(-c2cncc(CNCC3CCCC3)c2)cc2c(-c3nc4c(-c5ccsc5)nccc4[nH]3)[nH]nc12 |
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| InChI | InChI=1S/C29H26FN7S/c30-23-11-20(21-9-18(14-32-15-21)13-31-12-17-3-1-2-4-17)10-22-26(23)36-37-27(22)29-34-24-5-7-33-25(28(24)35-29)19-6-8-38-16-19/h5-11,14-17,31H,1-4,12-13H2,(H,34,35)(H,36,37) |
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| InChIKey | GNHWSRBYHSFLSK-UHFFFAOYSA-N |
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| XLogP | 6.71 |
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| TPSA | 95.17 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 | 38 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 523.64 |
| LogP ≤ 5 | 6.71 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze 1-cyclopentyl-N-[[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine with MolForge
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Frequently Asked Questions
What is the IUPAC name of 1-cyclopentyl-N-[[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?
The IUPAC name of 1-cyclopentyl-N-[[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine (CID 136935758) is 1-cyclopentyl-N-[[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine.
What is the SMILES notation for 1-cyclopentyl-N-[[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?
The canonical SMILES for 1-cyclopentyl-N-[[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine is Fc1cc(-c2cncc(CNCC3CCCC3)c2)cc2c(-c3nc4c(-c5ccsc5)nccc4[nH]3)[nH]nc12.
What is the InChIKey of 1-cyclopentyl-N-[[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?
The InChIKey is GNHWSRBYHSFLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26FN7S/c30-23-11-20(21-9-18(14-32-15-21)13-31-12-17-3-1-2-4-17)10-22-26(23)36-37-27(22)29-34-24-5-7-33-25(28(24)35-29)19-6-8-38-16-19/h5-11,14-17,31H,1-4,12-13H2,(H,34,35)(H,36,37).
What are the key properties of 1-cyclopentyl-N-[[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine?
1-cyclopentyl-N-[[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine has a molecular weight of 523.64 g/mol, XLogP of 6.71, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[[5-[7-fluoro-3-(4-thiophen-3-yl-1H-imidazo[4,5-c]pyridin-2-yl)-2H-indazol-5-yl]-3-pyridinyl]methyl]methanamine is sourced from PubChem (CID 136935758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).