About (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-[2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-yl]prop-2-enehydrazide
(E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-[2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-yl]prop-2-enehydrazide (PubChem CID 130329724) has the molecular formula C24H24FN9O
and a molecular weight of 473.52 g/mol. Its IUPAC name is (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-[2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-yl]prop-2-enehydrazide.
Molecular Properties
| Compound Name | (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-[2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-yl]prop-2-enehydrazide |
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| PubChem CID | 130329724 |
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| Molecular Formula | C24H24FN9O |
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| Molecular Weight | 473.52 g/mol |
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| Exact Mass | 473.21 |
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| IUPAC Name | (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-[2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-yl]prop-2-enehydrazide |
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| SMILES | [N-]=[N+]=NCn1cc(-c2ccncc2/C=C/C(=O)N(N)c2ccc3c(c2)CN(CC2(F)CC2)C3)cn1 |
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| InChI | InChI=1S/C24H24FN9O/c25-24(6-7-24)15-32-12-18-1-3-21(9-19(18)13-32)34(27)23(35)4-2-17-10-28-8-5-22(17)20-11-30-33(14-20)16-29-31-26/h1-5,8-11,14H,6-7,12-13,15-16,27H2/b4-2+ |
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| InChIKey | HHXJMLXSFMPRPL-DUXPYHPUSA-N |
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| XLogP | 3.95 |
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| TPSA | 129.04 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 7 |
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| Rotatable Bonds | 8 |
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| Heavy Atoms | 35 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 473.52 |
| LogP ≤ 5 | 3.95 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 7 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'} |
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Analyze (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-[2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-yl]prop-2-enehydrazide with MolForge
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Frequently Asked Questions
What is the IUPAC name of (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-[2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-yl]prop-2-enehydrazide?
The IUPAC name of (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-[2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-yl]prop-2-enehydrazide (CID 130329724) is (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-[2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-yl]prop-2-enehydrazide.
What is the SMILES notation for (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-[2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-yl]prop-2-enehydrazide?
The canonical SMILES for (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-[2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-yl]prop-2-enehydrazide is [N-]=[N+]=NCn1cc(-c2ccncc2/C=C/C(=O)N(N)c2ccc3c(c2)CN(CC2(F)CC2)C3)cn1.
What is the InChIKey of (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-[2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-yl]prop-2-enehydrazide?
The InChIKey is HHXJMLXSFMPRPL-DUXPYHPUSA-N. The full InChI is InChI=1S/C24H24FN9O/c25-24(6-7-24)15-32-12-18-1-3-21(9-19(18)13-32)34(27)23(35)4-2-17-10-28-8-5-22(17)20-11-30-33(14-20)16-29-31-26/h1-5,8-11,14H,6-7,12-13,15-16,27H2/b4-2+.
What are the key properties of (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-[2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-yl]prop-2-enehydrazide?
(E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-[2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-yl]prop-2-enehydrazide has a molecular weight of 473.52 g/mol, XLogP of 3.95, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[4-[1-(azidomethyl)pyrazol-4-yl]-3-pyridinyl]-N-[2-[(1-fluorocyclopropyl)methyl]-1,3-dihydroisoindol-5-yl]prop-2-enehydrazide is sourced from PubChem (CID 130329724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).