About [6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone
[6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone (PubChem CID 164830102) has the molecular formula C33H35N7O3
and a molecular weight of 577.69 g/mol. Its IUPAC name is [6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone.
Molecular Properties
| Compound Name | [6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone |
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| PubChem CID | 164830102 |
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| Molecular Formula | C33H35N7O3 |
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| Molecular Weight | 577.69 g/mol |
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| Exact Mass | 577.28 |
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| IUPAC Name | [6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone |
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| SMILES | Cn1ncc2cc(COc3ccc4nc(C(=O)N5CCC(n6cccn6)CC5)cc(C(=O)N5CCCCC5)c4c3)ccc21 |
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| InChI | InChI=1S/C33H35N7O3/c1-37-31-9-6-23(18-24(31)21-35-37)22-43-26-7-8-29-27(19-26)28(32(41)38-13-3-2-4-14-38)20-30(36-29)33(42)39-16-10-25(11-17-39)40-15-5-12-34-40/h5-9,12,15,18-21,25H,2-4,10-11,13-14,16-17,22H2,1H3 |
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| InChIKey | VXAJUIGWAIRXBL-UHFFFAOYSA-N |
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| XLogP | 5.00 |
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| TPSA | 98.38 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 6 |
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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 | 577.69 |
| LogP ≤ 5 | 5.00 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 8 |
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Frequently Asked Questions
What is the IUPAC name of [6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone?
The IUPAC name of [6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone (CID 164830102) is [6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone is Cn1ncc2cc(COc3ccc4nc(C(=O)N5CCC(n6cccn6)CC5)cc(C(=O)N5CCCCC5)c4c3)ccc21.
What is the InChIKey of [6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone?
The InChIKey is VXAJUIGWAIRXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35N7O3/c1-37-31-9-6-23(18-24(31)21-35-37)22-43-26-7-8-29-27(19-26)28(32(41)38-13-3-2-4-14-38)20-30(36-29)33(42)39-16-10-25(11-17-39)40-15-5-12-34-40/h5-9,12,15,18-21,25H,2-4,10-11,13-14,16-17,22H2,1H3.
What are the key properties of [6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone?
[6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone has a molecular weight of 577.69 g/mol, XLogP of 5.00, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(1-methylindazol-5-yl)methoxy]-2-(4-pyrazol-1-ylpiperidine-1-carbonyl)quinolin-4-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 164830102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).