About [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone
[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (PubChem CID 138578777) has the molecular formula C29H28FN5O
and a molecular weight of 481.58 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.
Molecular Properties
| Compound Name | [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone |
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| PubChem CID | 138578777 |
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| Molecular Formula | C29H28FN5O |
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| Molecular Weight | 481.58 g/mol |
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| Exact Mass | 481.23 |
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| IUPAC Name | [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone |
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| SMILES | Cc1c(-c2cc3ccccc3n2Cc2ccccc2F)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12 |
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| InChI | InChI=1S/C29H28FN5O/c1-19-28(32-27-16-21(12-14-34(19)27)29(36)33-13-6-9-23(31)18-33)26-15-20-7-3-5-11-25(20)35(26)17-22-8-2-4-10-24(22)30/h2-5,7-8,10-12,14-16,23H,6,9,13,17-18,31H2,1H3/t23-/m1/s1 |
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| InChIKey | YTXWQOYLAPTGJN-HSZRJFAPSA-N |
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| XLogP | 5.02 |
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| TPSA | 68.56 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 36 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 481.58 |
| LogP ≤ 5 | 5.02 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The IUPAC name of [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone (CID 138578777) is [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone.
What is the SMILES notation for [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The canonical SMILES for [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is Cc1c(-c2cc3ccccc3n2Cc2ccccc2F)nc2cc(C(=O)N3CCC[C@@H](N)C3)ccn12.
What is the InChIKey of [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
The InChIKey is YTXWQOYLAPTGJN-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H28FN5O/c1-19-28(32-27-16-21(12-14-34(19)27)29(36)33-13-6-9-23(31)18-33)26-15-20-7-3-5-11-25(20)35(26)17-22-8-2-4-10-24(22)30/h2-5,7-8,10-12,14-16,23H,6,9,13,17-18,31H2,1H3/t23-/m1/s1.
What are the key properties of [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone?
[(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone has a molecular weight of 481.58 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-aminopiperidin-1-yl]-[2-[1-[(2-fluorophenyl)methyl]indol-2-yl]-3-methylimidazo[1,2-a]pyridin-7-yl]methanone is sourced from PubChem (CID 138578777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).