About [7-fluoro-4-(1-methoxynaphthalen-2-yl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone
[7-fluoro-4-(1-methoxynaphthalen-2-yl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone (PubChem CID 176811382) has the molecular formula C33H33FN4O3
and a molecular weight of 552.65 g/mol. Its IUPAC name is [7-fluoro-4-(1-methoxynaphthalen-2-yl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone.
Molecular Properties
| Compound Name | [7-fluoro-4-(1-methoxynaphthalen-2-yl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone |
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| PubChem CID | 176811382 |
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| Molecular Formula | C33H33FN4O3 |
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| Molecular Weight | 552.65 g/mol |
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| Exact Mass | 552.25 |
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| IUPAC Name | [7-fluoro-4-(1-methoxynaphthalen-2-yl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone |
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| SMILES | COc1cccnc1N1CCN(C(=O)c2cc3c(-c4ccc5ccccc5c4OC)cc(C(C)C)c(F)c3[nH]2)CC1 |
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| InChI | InChI=1S/C33H33FN4O3/c1-20(2)24-18-25(23-12-11-21-8-5-6-9-22(21)31(23)41-4)26-19-27(36-30(26)29(24)34)33(39)38-16-14-37(15-17-38)32-28(40-3)10-7-13-35-32/h5-13,18-20,36H,14-17H2,1-4H3 |
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| InChIKey | DPQVQLFZCIDTRI-UHFFFAOYSA-N |
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| XLogP | 6.63 |
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| TPSA | 70.69 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 6 |
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| Heavy Atoms | 41 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 552.65 |
| LogP ≤ 5 | 6.63 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
Analyze [7-fluoro-4-(1-methoxynaphthalen-2-yl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone with MolForge
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Frequently Asked Questions
What is the IUPAC name of [7-fluoro-4-(1-methoxynaphthalen-2-yl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The IUPAC name of [7-fluoro-4-(1-methoxynaphthalen-2-yl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone (CID 176811382) is [7-fluoro-4-(1-methoxynaphthalen-2-yl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone.
What is the SMILES notation for [7-fluoro-4-(1-methoxynaphthalen-2-yl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The canonical SMILES for [7-fluoro-4-(1-methoxynaphthalen-2-yl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone is COc1cccnc1N1CCN(C(=O)c2cc3c(-c4ccc5ccccc5c4OC)cc(C(C)C)c(F)c3[nH]2)CC1.
What is the InChIKey of [7-fluoro-4-(1-methoxynaphthalen-2-yl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
The InChIKey is DPQVQLFZCIDTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33FN4O3/c1-20(2)24-18-25(23-12-11-21-8-5-6-9-22(21)31(23)41-4)26-19-27(36-30(26)29(24)34)33(39)38-16-14-37(15-17-38)32-28(40-3)10-7-13-35-32/h5-13,18-20,36H,14-17H2,1-4H3.
What are the key properties of [7-fluoro-4-(1-methoxynaphthalen-2-yl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone?
[7-fluoro-4-(1-methoxynaphthalen-2-yl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone has a molecular weight of 552.65 g/mol, XLogP of 6.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-fluoro-4-(1-methoxynaphthalen-2-yl)-6-propan-2-yl-1H-indol-2-yl]-[4-(3-methoxy-2-pyridinyl)piperazin-1-yl]methanone is sourced from PubChem (CID 176811382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).