About 5-[[2-[[4-[1-(3-fluoropropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(methoxymethyl)indole-1-carboxamide
5-[[2-[[4-[1-(3-fluoropropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(methoxymethyl)indole-1-carboxamide (PubChem CID 90344109) has the molecular formula C31H34FN5O4
and a molecular weight of 559.64 g/mol. Its IUPAC name is 5-[[2-[[4-[1-(3-fluoropropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(methoxymethyl)indole-1-carboxamide.
Molecular Properties
| Compound Name | 5-[[2-[[4-[1-(3-fluoropropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(methoxymethyl)indole-1-carboxamide |
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| PubChem CID | 90344109 |
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| Molecular Formula | C31H34FN5O4 |
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| Molecular Weight | 559.64 g/mol |
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| Exact Mass | 559.26 |
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| IUPAC Name | 5-[[2-[[4-[1-(3-fluoropropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(methoxymethyl)indole-1-carboxamide |
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| SMILES | COCc1cc2c(ccn2C(N)=O)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(CCCF)CC3)cc2)c1 |
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| InChI | InChI=1S/C31H34FN5O4/c1-40-20-25-17-27-24(10-16-37(27)31(33)39)18-28(25)41-26-7-12-34-29(19-26)35-30(38)23-5-3-21(4-6-23)22-8-14-36(15-9-22)13-2-11-32/h3-7,10,12,16-19,22H,2,8-9,11,13-15,20H2,1H3,(H2,33,39)(H,34,35,38) |
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| InChIKey | BYAJWNCYBQXBFZ-UHFFFAOYSA-N |
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| XLogP | 5.69 |
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| TPSA | 111.71 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 10 |
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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 | 559.64 |
| LogP ≤ 5 | 5.69 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 7 |
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Frequently Asked Questions
What is the IUPAC name of 5-[[2-[[4-[1-(3-fluoropropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(methoxymethyl)indole-1-carboxamide?
The IUPAC name of 5-[[2-[[4-[1-(3-fluoropropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(methoxymethyl)indole-1-carboxamide (CID 90344109) is 5-[[2-[[4-[1-(3-fluoropropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(methoxymethyl)indole-1-carboxamide.
What is the SMILES notation for 5-[[2-[[4-[1-(3-fluoropropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(methoxymethyl)indole-1-carboxamide?
The canonical SMILES for 5-[[2-[[4-[1-(3-fluoropropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(methoxymethyl)indole-1-carboxamide is COCc1cc2c(ccn2C(N)=O)cc1Oc1ccnc(NC(=O)c2ccc(C3CCN(CCCF)CC3)cc2)c1.
What is the InChIKey of 5-[[2-[[4-[1-(3-fluoropropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(methoxymethyl)indole-1-carboxamide?
The InChIKey is BYAJWNCYBQXBFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34FN5O4/c1-40-20-25-17-27-24(10-16-37(27)31(33)39)18-28(25)41-26-7-12-34-29(19-26)35-30(38)23-5-3-21(4-6-23)22-8-14-36(15-9-22)13-2-11-32/h3-7,10,12,16-19,22H,2,8-9,11,13-15,20H2,1H3,(H2,33,39)(H,34,35,38).
What are the key properties of 5-[[2-[[4-[1-(3-fluoropropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(methoxymethyl)indole-1-carboxamide?
5-[[2-[[4-[1-(3-fluoropropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(methoxymethyl)indole-1-carboxamide has a molecular weight of 559.64 g/mol, XLogP of 5.69, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[[4-[1-(3-fluoropropyl)piperidin-4-yl]benzoyl]amino]-4-pyridinyl]oxy]-6-(methoxymethyl)indole-1-carboxamide is sourced from PubChem (CID 90344109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).