About (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
(6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 143619343) has the molecular formula C19H17N5O3
and a molecular weight of 363.38 g/mol. Its IUPAC name is (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
Molecular Properties
| Compound Name | (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone |
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| PubChem CID | 143619343 |
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| Molecular Formula | C19H17N5O3 |
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| Molecular Weight | 363.38 g/mol |
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| Exact Mass | 363.13 |
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| IUPAC Name | (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone |
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| SMILES | Cc1cnc2cc(C(=O)N3CC=C(c4ccccc4[N+](=O)[O-])CC3)nn2c1 |
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| InChI | InChI=1S/C19H17N5O3/c1-13-11-20-18-10-16(21-23(18)12-13)19(25)22-8-6-14(7-9-22)15-4-2-3-5-17(15)24(26)27/h2-6,10-12H,7-9H2,1H3 |
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| InChIKey | OYLIPWBVCSVIDF-UHFFFAOYSA-N |
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| XLogP | 2.88 |
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| TPSA | 93.64 Ų |
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| H-Bond Donors | |
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| H-Bond Acceptors | 6 |
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| Rotatable Bonds | 3 |
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| Heavy Atoms | 27 |
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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 | 363.38 |
| LogP ≤ 5 | 2.88 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 6 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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Frequently Asked Questions
What is the IUPAC name of (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 143619343) is (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is Cc1cnc2cc(C(=O)N3CC=C(c4ccccc4[N+](=O)[O-])CC3)nn2c1.
What is the InChIKey of (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is OYLIPWBVCSVIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-13-11-20-18-10-16(21-23(18)12-13)19(25)22-8-6-14(7-9-22)15-4-2-3-5-17(15)24(26)27/h2-6,10-12H,7-9H2,1H3.
What are the key properties of (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
(6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 363.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 143619343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).