About (E)-3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one
(E)-3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one (PubChem CID 19092408) has the molecular formula C23H24ClN3O
and a molecular weight of 393.92 g/mol. Its IUPAC name is (E)-3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one.
Molecular Properties
| Compound Name | (E)-3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one |
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| PubChem CID | 19092408 |
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| Molecular Formula | C23H24ClN3O |
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| Molecular Weight | 393.92 g/mol |
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| Exact Mass | 393.16 |
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| IUPAC Name | (E)-3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one |
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| SMILES | CCC1CCCCN1C(=O)/C=C/c1c(-c2ccc(Cl)cc2)nn2ccccc12 |
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| InChI | InChI=1S/C23H24ClN3O/c1-2-19-7-3-5-15-26(19)22(28)14-13-20-21-8-4-6-16-27(21)25-23(20)17-9-11-18(24)12-10-17/h4,6,8-14,16,19H,2-3,5,7,15H2,1H3/b14-13+ |
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| InChIKey | YTFLBOUEOBQWDI-BUHFOSPRSA-N |
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| XLogP | 5.46 |
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| TPSA | 37.61 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 3 |
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| Rotatable Bonds | 4 |
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| Heavy Atoms | 28 |
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| Complexity | — |
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Lipinski Rule of Five
1 violation
| Rule | Value |
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| MW ≤ 500 | 393.92 |
| LogP ≤ 5 | 5.46 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 3 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (E)-3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one?
The IUPAC name of (E)-3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one (CID 19092408) is (E)-3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one?
The canonical SMILES for (E)-3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one is CCC1CCCCN1C(=O)/C=C/c1c(-c2ccc(Cl)cc2)nn2ccccc12.
What is the InChIKey of (E)-3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one?
The InChIKey is YTFLBOUEOBQWDI-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H24ClN3O/c1-2-19-7-3-5-15-26(19)22(28)14-13-20-21-8-4-6-16-27(21)25-23(20)17-9-11-18(24)12-10-17/h4,6,8-14,16,19H,2-3,5,7,15H2,1H3/b14-13+.
What are the key properties of (E)-3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one?
(E)-3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one has a molecular weight of 393.92 g/mol, XLogP of 5.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(4-chlorophenyl)pyrazolo[1,5-a]pyridin-3-yl]-1-(2-ethylpiperidin-1-yl)prop-2-en-1-one is sourced from PubChem (CID 19092408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).