About ethane;N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine
ethane;N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine (PubChem CID 169129462) has the molecular formula C24H28F3N5
and a molecular weight of 443.52 g/mol. Its IUPAC name is ethane;N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine.
Molecular Properties
| Compound Name | ethane;N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine |
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| PubChem CID | 169129462 |
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| Molecular Formula | C24H28F3N5 |
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| Molecular Weight | 443.52 g/mol |
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| Exact Mass | 443.23 |
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| IUPAC Name | ethane;N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine |
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| SMILES | CC.FC(F)(F)C1(c2ccc3ncc(-c4cccc(NC5CC6(CNC6)C5)n4)n3c2)CC1 |
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| InChI | InChI=1S/C22H22F3N5.C2H6/c23-22(24,25)21(6-7-21)14-4-5-19-27-10-17(30(19)11-14)16-2-1-3-18(29-16)28-15-8-20(9-15)12-26-13-20;1-2/h1-5,10-11,15,26H,6-9,12-13H2,(H,28,29);1-2H3 |
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| InChIKey | CAEVIFBCMCDZOV-UHFFFAOYSA-N |
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| XLogP | 5.18 |
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| TPSA | 54.25 Ų |
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| H-Bond Donors | 2 |
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| H-Bond Acceptors | 5 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 32 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 443.52 |
| LogP ≤ 5 | 5.18 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 5 |
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Frequently Asked Questions
What is the IUPAC name of ethane;N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine?
The IUPAC name of ethane;N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine (CID 169129462) is ethane;N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine.
What is the SMILES notation for ethane;N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine?
The canonical SMILES for ethane;N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine is CC.FC(F)(F)C1(c2ccc3ncc(-c4cccc(NC5CC6(CNC6)C5)n4)n3c2)CC1.
What is the InChIKey of ethane;N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine?
The InChIKey is CAEVIFBCMCDZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3N5.C2H6/c23-22(24,25)21(6-7-21)14-4-5-19-27-10-17(30(19)11-14)16-2-1-3-18(29-16)28-15-8-20(9-15)12-26-13-20;1-2/h1-5,10-11,15,26H,6-9,12-13H2,(H,28,29);1-2H3.
What are the key properties of ethane;N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine?
ethane;N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine has a molecular weight of 443.52 g/mol, XLogP of 5.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[6-[6-[1-(trifluoromethyl)cyclopropyl]imidazo[1,2-a]pyridin-3-yl]-2-pyridinyl]-2-azaspiro[3.3]heptan-6-amine is sourced from PubChem (CID 169129462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).