C128H147N27O6 — CID 162151140
[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-5-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2-methylpropyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]indol-2-yl]benzimidazol-5-yl]methanone (PubChem CID 162151140) has the molecular formula C128H147N27O6 and a molecular weight of 2159.77 g/mol. Its IUPAC name is [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-5-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2-methylpropyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]indol-2-yl]benzimidazol-5-yl]methanone.
| Compound Name | [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-5-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2-methylpropyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]indol-2-yl]benzimidazol-5-yl]methanone |
|---|---|
| PubChem CID | 162151140 |
| Molecular Formula | C128H147N27O6 |
| Molecular Weight | 2159.77 g/mol |
| Exact Mass | 2158.20 |
| IUPAC Name | [(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-5-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-(1-ethyl-6-methylindol-2-yl)-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[2-[1-(2-methoxyethyl)indol-2-yl]-1-methylbenzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-(2-methylpropyl)indol-2-yl]benzimidazol-5-yl]methanone;[(3R)-3-aminopiperidin-1-yl]-[1-methyl-2-[1-[(1-methylpyrazol-4-yl)methyl]indol-2-yl]benzimidazol-5-yl]methanone |
| SMILES | CC(C)Cn1c(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)ccc3n2C)cc2ccccc21.CCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)ccc3n2C)cc2cc(C)ccc21.CCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)ccc3n2C)cc2ccc(C)cc21.COCCn1c(-c2nc3cc(C(=O)N4CCC[C@@H](N)C4)ccc3n2C)cc2ccccc21.Cn1cc(Cn2c(-c3nc4cc(C(=O)N5CCC[C@@H](N)C5)ccc4n3C)cc3ccccc32)cn1 |
| InChI | InChI=1S/C27H29N7O.C26H31N5O.C25H29N5O2.2C25H29N5O/c1-31-15-18(14-29-31)16-34-23-8-4-3-6-19(23)13-25(34)26-30-22-12-20(9-10-24(22)32(26)2)27(35)33-11-5-7-21(28)17-33;1-17(2)15-31-22-9-5-4-7-18(22)14-24(31)25-28-21-13-19(10-11-23(21)29(25)3)26(32)30-12-6-8-20(27)16-30;1-28-22-10-9-18(25(31)29-11-5-7-19(26)16-29)14-20(22)27-24(28)23-15-17-6-3-4-8-21(17)30(23)12-13-32-2;1-4-30-21-9-7-16(2)12-18(21)14-23(30)24-27-20-13-17(8-10-22(20)28(24)3)25(31)29-11-5-6-19(26)15-29;1-4-30-22-12-16(2)7-8-17(22)14-23(30)24-27-20-13-18(9-10-21(20)28(24)3)25(31)29-11-5-6-19(26)15-29/h3-4,6,8-10,12-15,21H,5,7,11,16-17,28H2,1-2H3;4-5,7,9-11,13-14,17,20H,6,8,12,15-16,27H2,1-3H3;3-4,6,8-10,14-15,19H,5,7,11-13,16,26H2,1-2H3;2*7-10,12-14,19H,4-6,11,15,26H2,1-3H3/t21-;20-;3*19-/m11111/s1 |
| InChIKey | ZLFMSKUPMUXHAZ-UNMKSZRGSA-N |
| XLogP | 19.53 |
| TPSA | 372.45 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 19 |
| Heavy Atoms | 161 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2159.77 |
| LogP ≤ 5 | 19.53 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 28 |