About (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-thieno[3,2-c]pyrazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine
(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-thieno[3,2-c]pyrazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine (PubChem CID 58941607) has the molecular formula C26H23N5O2S
and a molecular weight of 469.57 g/mol. Its IUPAC name is (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-thieno[3,2-c]pyrazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine.
Molecular Properties
| Compound Name | (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-thieno[3,2-c]pyrazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine |
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| PubChem CID | 58941607 |
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| Molecular Formula | C26H23N5O2S |
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| Molecular Weight | 469.57 g/mol |
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| Exact Mass | 469.16 |
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| IUPAC Name | (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-thieno[3,2-c]pyrazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine |
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| SMILES | Cc1[nH]nc2cc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)sc12 |
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| InChI | InChI=1S/C26H23N5O2S/c1-15-26-23(31-30-15)10-24(34-26)21-9-19(12-29-25(21)16-6-7-32-13-16)33-14-18(27)8-17-11-28-22-5-3-2-4-20(17)22/h2-7,9-13,18,28H,8,14,27H2,1H3,(H,30,31)/t18-/m0/s1 |
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| InChIKey | LXLVBMFJFHQKIX-SFHVURJKSA-N |
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| XLogP | 5.68 |
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| TPSA | 105.75 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 | 34 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 469.57 |
| LogP ≤ 5 | 5.68 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 6 |
Analyze (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-thieno[3,2-c]pyrazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine with MolForge
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Frequently Asked Questions
What is the IUPAC name of (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-thieno[3,2-c]pyrazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The IUPAC name of (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-thieno[3,2-c]pyrazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine (CID 58941607) is (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-thieno[3,2-c]pyrazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-thieno[3,2-c]pyrazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The canonical SMILES for (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-thieno[3,2-c]pyrazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine is Cc1[nH]nc2cc(-c3cc(OC[C@@H](N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)sc12.
What is the InChIKey of (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-thieno[3,2-c]pyrazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
The InChIKey is LXLVBMFJFHQKIX-SFHVURJKSA-N. The full InChI is InChI=1S/C26H23N5O2S/c1-15-26-23(31-30-15)10-24(34-26)21-9-19(12-29-25(21)16-6-7-32-13-16)33-14-18(27)8-17-11-28-22-5-3-2-4-20(17)22/h2-7,9-13,18,28H,8,14,27H2,1H3,(H,30,31)/t18-/m0/s1.
What are the key properties of (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-thieno[3,2-c]pyrazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine?
(2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-thieno[3,2-c]pyrazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine has a molecular weight of 469.57 g/mol, XLogP of 5.68, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[[6-(furan-3-yl)-5-(3-methyl-2H-thieno[3,2-c]pyrazol-5-yl)-3-pyridinyl]oxy]-3-(1H-indol-3-yl)propan-2-amine is sourced from PubChem (CID 58941607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).