C120H119ClFIN18O20 — CID 159190212
1-[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]-3-methoxypropan-2-one;2-amino-1H-pyridin-4-one;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-(3-methoxy-2-oxopropyl)-4-pyridinyl]oxy]naphthalen-1-yl]urea;deuterio(iodo)methane;1-fluoro-4-nitronaphthalene;2-methoxyacetyl chloride;1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one;4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine (PubChem CID 159190212) has the molecular formula C120H119ClFIN18O20 and a molecular weight of 2315.74 g/mol. Its IUPAC name is 1-[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]-3-methoxypropan-2-one;2-amino-1H-pyridin-4-one;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-(3-methoxy-2-oxopropyl)-4-pyridinyl]oxy]naphthalen-1-yl]urea;deuterio(iodo)methane;1-fluoro-4-nitronaphthalene;2-methoxyacetyl chloride;1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one;4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine.
| Compound Name | 1-[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]-3-methoxypropan-2-one;2-amino-1H-pyridin-4-one;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-(3-methoxy-2-oxopropyl)-4-pyridinyl]oxy]naphthalen-1-yl]urea;deuterio(iodo)methane;1-fluoro-4-nitronaphthalene;2-methoxyacetyl chloride;1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one;4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine |
|---|---|
| PubChem CID | 159190212 |
| Molecular Formula | C120H119ClFIN18O20 |
| Molecular Weight | 2315.74 g/mol |
| Exact Mass | 2313.76 |
| IUPAC Name | 1-[4-(4-aminonaphthalen-1-yl)oxy-2-pyridinyl]-3-methoxypropan-2-one;2-amino-1H-pyridin-4-one;3-tert-butyl-1-(4-methylphenyl)pyrazol-5-amine;1-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]-3-[4-[[2-(3-methoxy-2-oxopropyl)-4-pyridinyl]oxy]naphthalen-1-yl]urea;deuterio(iodo)methane;1-fluoro-4-nitronaphthalene;2-methoxyacetyl chloride;1-methoxy-3-[4-(4-nitronaphthalen-1-yl)oxy-2-pyridinyl]propan-2-one;4-(4-nitronaphthalen-1-yl)oxypyridin-2-amine |
| SMILES | COCC(=O)Cc1cc(Oc2ccc(N)c3ccccc23)ccn1.COCC(=O)Cc1cc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c3ccccc23)ccn1.COCC(=O)Cc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ccn1.COCC(=O)Cl.Cc1ccc(-n2nc(C(C)(C)C)cc2N)cc1.Nc1cc(=O)cc[nH]1.Nc1cc(Oc2ccc([N+](=O)[O-])c3ccccc23)ccn1.O=[N+]([O-])c1ccc(F)c2ccccc12.[2H]CI |
| InChI | InChI=1S/C34H35N5O4.C19H16N2O5.C19H18N2O3.C15H11N3O3.C14H19N3.C10H6FNO2.C5H6N2O.C3H5ClO2.CH3I/c1-22-10-12-24(13-11-22)39-32(20-31(38-39)34(2,3)4)37-33(41)36-29-14-15-30(28-9-7-6-8-27(28)29)43-26-16-17-35-23(19-26)18-25(40)21-42-5;1-25-12-14(22)10-13-11-15(8-9-20-13)26-19-7-6-18(21(23)24)16-4-2-3-5-17(16)19;1-23-12-14(22)10-13-11-15(8-9-21-13)24-19-7-6-18(20)16-4-2-3-5-17(16)19;16-15-9-10(7-8-17-15)21-14-6-5-13(18(19)20)11-3-1-2-4-12(11)14;1-10-5-7-11(8-6-10)17-13(15)9-12(16-17)14(2,3)4;11-9-5-6-10(12(13)14)8-4-2-1-3-7(8)9;6-5-3-4(8)1-2-7-5;1-6-2-3(4)5;1-2/h6-17,19-20H,18,21H2,1-5H3,(H2,36,37,41);2-9,11H,10,12H2,1H3;2-9,11H,10,12,20H2,1H3;1-9H,(H2,16,17);5-9H,15H2,1-4H3;1-6H;1-3H,(H3,6,7,8);2H2,1H3;1H3/i;;;;;;;;1D |
| InChIKey | KNZJSVKSTKFQII-HDXUJGPXSA-N |
| XLogP | 25.15 |
| TPSA | 536.81 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 29 |
| Heavy Atoms | 161 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2315.74 |
| LogP ≤ 5 | 25.15 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'} |
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