About 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-propan-2-ylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide
6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-propan-2-ylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide (PubChem CID 90343707) has the molecular formula C33H39N5O5
and a molecular weight of 585.71 g/mol. Its IUPAC name is 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-propan-2-ylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide.
Molecular Properties
| Compound Name | 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-propan-2-ylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide |
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| PubChem CID | 90343707 |
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| Molecular Formula | C33H39N5O5 |
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| Molecular Weight | 585.71 g/mol |
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| Exact Mass | 585.30 |
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| IUPAC Name | 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-propan-2-ylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide |
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| SMILES | CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C(C)C)CC5)cc4)c3)c(OCCOC)cc21 |
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| InChI | InChI=1S/C33H39N5O5/c1-22(2)37-14-10-24(11-15-37)23-5-7-25(8-6-23)32(39)36-31-20-27(9-13-35-31)43-30-19-26-12-16-38(33(40)34-3)28(26)21-29(30)42-18-17-41-4/h5-9,12-13,16,19-22,24H,10-11,14-15,17-18H2,1-4H3,(H,34,40)(H,35,36,39) |
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| InChIKey | AEOGIRUULHSAPQ-UHFFFAOYSA-N |
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| XLogP | 5.88 |
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| TPSA | 106.95 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 10 |
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| Heavy Atoms | 43 |
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| Complexity | — |
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Lipinski Rule of Five
2 violations
| Rule | Value |
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| MW ≤ 500 | 585.71 |
| LogP ≤ 5 | 5.88 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 8 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-propan-2-ylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide?
The IUPAC name of 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-propan-2-ylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide (CID 90343707) is 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-propan-2-ylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide.
What is the SMILES notation for 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-propan-2-ylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide?
The canonical SMILES for 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-propan-2-ylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide is CNC(=O)n1ccc2cc(Oc3ccnc(NC(=O)c4ccc(C5CCN(C(C)C)CC5)cc4)c3)c(OCCOC)cc21.
What is the InChIKey of 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-propan-2-ylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide?
The InChIKey is AEOGIRUULHSAPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O5/c1-22(2)37-14-10-24(11-15-37)23-5-7-25(8-6-23)32(39)36-31-20-27(9-13-35-31)43-30-19-26-12-16-38(33(40)34-3)28(26)21-29(30)42-18-17-41-4/h5-9,12-13,16,19-22,24H,10-11,14-15,17-18H2,1-4H3,(H,34,40)(H,35,36,39).
What are the key properties of 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-propan-2-ylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide?
6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-propan-2-ylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide has a molecular weight of 585.71 g/mol, XLogP of 5.88, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethoxy)-N-methyl-5-[[2-[[4-(1-propan-2-ylpiperidin-4-yl)benzoyl]amino]-4-pyridinyl]oxy]indole-1-carboxamide is sourced from PubChem (CID 90343707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).