C149H147FN30O7 — CID 159378074
(2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone (PubChem CID 159378074) has the molecular formula C149H147FN30O7 and a molecular weight of 2489.02 g/mol. Its IUPAC name is (2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone.
| Compound Name | (2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone |
|---|---|
| PubChem CID | 159378074 |
| Molecular Formula | C149H147FN30O7 |
| Molecular Weight | 2489.02 g/mol |
| Exact Mass | 2487.21 |
| IUPAC Name | (2-amino-5-cyclopenta-1,4-dien-1-yl-3-pyridinyl)-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-[(E)-2-phenylethenyl]-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;[2-amino-5-(2-phenylethyl)-3-pyridinyl]-[6-(3-phenylpiperazin-1-yl)-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(4-fluorophenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(2-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]methanone;(2-amino-3-pyridinyl)-[6-[3-(3-methylphenyl)piperazin-1-yl]-2-pyridinyl]methanone |
| SMILES | COc1ccccc1C1CN(c2cccc(C(=O)c3cccnc3N)n2)CCN1.Cc1cccc(C2CN(c3cccc(C(=O)c4cccnc4N)n3)CCN2)c1.Nc1ncc(/C=C/c2ccccc2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.Nc1ncc(C2=CCC=C2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.Nc1ncc(CCc2ccccc2)cc1C(=O)c1cccc(N2CCNC(c3ccccc3)C2)n1.Nc1ncccc1C(=O)c1cccc(N2CCNC(c3ccc(F)cc3)C2)n1 |
| InChI | InChI=1S/C29H29N5O.C29H27N5O.C26H25N5O.C22H23N5O2.C22H23N5O.C21H20FN5O/c2*30-29-24(18-22(19-32-29)15-14-21-8-3-1-4-9-21)28(35)25-12-7-13-27(33-25)34-17-16-31-26(20-34)23-10-5-2-6-11-23;27-26-21(15-20(16-29-26)18-7-4-5-8-18)25(32)22-11-6-12-24(30-22)31-14-13-28-23(17-31)19-9-2-1-3-10-19;1-29-19-9-3-2-6-15(19)18-14-27(13-12-24-18)20-10-4-8-17(26-20)21(28)16-7-5-11-25-22(16)23;1-15-5-2-6-16(13-15)19-14-27(12-11-24-19)20-9-3-8-18(26-20)21(28)17-7-4-10-25-22(17)23;22-15-8-6-14(7-9-15)18-13-27(12-11-24-18)19-5-1-4-17(26-19)20(28)16-3-2-10-25-21(16)23/h1-13,18-19,26,31H,14-17,20H2,(H2,30,32);1-15,18-19,26,31H,16-17,20H2,(H2,30,32);1-4,6-12,15-16,23,28H,5,13-14,17H2,(H2,27,29);2-11,18,24H,12-14H2,1H3,(H2,23,25);2-10,13,19,24H,11-12,14H2,1H3,(H2,23,25);1-10,18,24H,11-13H2,(H2,23,25)/b;15-14+;;;; |
| InChIKey | LKOKKUUMWHNYRY-TWPNBRPISA-N |
| XLogP | 20.40 |
| TPSA | 514.07 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 31 |
| Heavy Atoms | 187 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2489.02 |
| LogP ≤ 5 | 20.40 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 37 |