C143H126F2N26O2S2 — CID 159584344
5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-2-amine;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]acetamide (PubChem CID 159584344) has the molecular formula C143H126F2N26O2S2 and a molecular weight of 2342.89 g/mol. Its IUPAC name is 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-2-amine;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]acetamide.
| Compound Name | 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-2-amine;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]acetamide |
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| PubChem CID | 159584344 |
| Molecular Formula | C143H126F2N26O2S2 |
| Molecular Weight | 2342.89 g/mol |
| Exact Mass | 2341.00 |
| IUPAC Name | 5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)pyridin-2-amine;N-[5-(4-amino-3-methanimidoylphenyl)-6-(3-cyclopropylphenyl)-3-pyridinyl]acetamide;5-(4-amino-3-methanimidoylphenyl)-6-(4-fluoro-3-methylphenyl)pyridin-2-amine;5-(4-amino-3-methanimidoylphenyl)-6-(3-methylphenyl)pyridin-2-amine;5-(1,3-benzothiazol-6-yl)-6-(3-cyclopropylphenyl)pyridin-3-amine;5-(1,3-benzothiazol-6-yl)-6-(3-methylphenyl)pyridin-3-amine;N-[6-(4-fluoro-3-methylphenyl)-5-(1H-indazol-5-yl)-3-pyridinyl]acetamide |
| SMILES | CC(=O)Nc1cnc(-c2ccc(F)c(C)c2)c(-c2ccc3[nH]ncc3c2)c1.Cc1cccc(-c2ncc(N)cc2-c2ccc3ncsc3c2)c1.Nc1cnc(-c2cccc(C3CC3)c2)c(-c2ccc3ncsc3c2)c1.[H]/N=C/c1cc(-c2cc(NC(C)=O)cnc2-c2cccc(C3CC3)c2)ccc1N.[H]/N=C/c1cc(-c2ccc(N)nc2-c2ccc(F)c(C)c2)ccc1N.[H]/N=C/c1cc(-c2ccc(N)nc2-c2cccc(C)c2)ccc1N.[H]/N=C/c1cc(-c2ccc(N)nc2-c2cccc(C3CC3)c2)ccc1N |
| InChI | InChI=1S/C23H22N4O.C21H17FN4O.C21H20N4.C21H17N3S.C19H17FN4.C19H18N4.C19H15N3S/c1-14(28)27-20-11-21(17-7-8-22(25)19(10-17)12-24)23(26-13-20)18-4-2-3-16(9-18)15-5-6-15;1-12-7-15(3-5-19(12)22)21-18(9-17(11-23-21)25-13(2)27)14-4-6-20-16(8-14)10-24-26-20;22-12-17-11-15(6-8-19(17)23)18-7-9-20(24)25-21(18)16-3-1-2-14(10-16)13-4-5-13;22-17-10-18(15-6-7-19-20(9-15)25-12-24-19)21(23-11-17)16-3-1-2-14(8-16)13-4-5-13;1-11-8-13(2-5-16(11)20)19-15(4-7-18(23)24-19)12-3-6-17(22)14(9-12)10-21;1-12-3-2-4-14(9-12)19-16(6-8-18(22)23-19)13-5-7-17(21)15(10-13)11-20;1-12-3-2-4-14(7-12)19-16(9-15(20)10-21-19)13-5-6-17-18(8-13)23-11-22-17/h2-4,7-13,15,24H,5-6,25H2,1H3,(H,27,28);3-11H,1-2H3,(H,24,26)(H,25,27);1-3,6-13,22H,4-5,23H2,(H2,24,25);1-3,6-13H,4-5,22H2;2-10,21H,22H2,1H3,(H2,23,24);2-11,20H,21H2,1H3,(H2,22,23);2-11H,20H2,1H3/b24-12+;;22-12+;;21-10+;20-11+; |
| InChIKey | MJKPZEIQZJYEOL-LHOXODPASA-N |
| XLogP | 32.30 |
| TPSA | 532.47 Ų |
| H-Bond Donors | 16 |
| H-Bond Acceptors | 27 |
| Rotatable Bonds | 23 |
| Heavy Atoms | 175 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2342.89 |
| LogP ≤ 5 | 32.30 |
| H-Bond Donors ≤ 5 | 16 |
| H-Bond Acceptors ≤ 10 | 27 |
| Structural Alerts | {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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