C157H178N44O6 — CID 162123049
3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1R)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1R)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide (PubChem CID 162123049) has the molecular formula C157H178N44O6 and a molecular weight of 2777.45 g/mol. Its IUPAC name is 3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1R)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1R)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide.
| Compound Name | 3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1R)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1R)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide |
|---|---|
| PubChem CID | 162123049 |
| Molecular Formula | C157H178N44O6 |
| Molecular Weight | 2777.45 g/mol |
| Exact Mass | 2775.50 |
| IUPAC Name | 3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1R)-1-[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(3-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(1R)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]-2-pyridinyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]cyclobutane-1-carboxamide;3-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]cyclobutane-1-carboxamide |
| SMILES | Cc1cc(Cc2cc(C)[nH]n2)nc(C2CC(C(=O)NCc3ccc(-n4cccn4)nc3)C2)c1.Cc1cc(Cc2cc(C)[nH]n2)nc(C2CC(C(=O)N[C@@H](C)c3ccc(-n4cc(C)cn4)nc3)C2)c1.Cc1cc(Cc2cc(C)[nH]n2)nc(C2CC(C(=O)N[C@@H](C)c3ccc(-n4ccc(C)n4)nc3)C2)c1.Cc1cc(Cc2cc(C)[nH]n2)nc(C2CC(C(=O)N[C@H](C)c3ccc(-n4cccn4)nc3)C2)c1.Cc1cc(Cc2cc(C)[nH]n2)nc(C2CC(C(=O)N[C@H](C)c3cnc(-n4cc(C)cn4)cn3)C2)c1.Cc1cnn(-c2ccc([C@H](C)NC(=O)C3CC(c4nc(C)cc(Cc5cc(C)[nH]n5)n4)C3)cn2)c1 |
| InChI | InChI=1S/2C27H31N7O.2C26H30N8O.C26H29N7O.C25H27N7O/c1-16-7-23(12-24-9-18(3)32-33-24)31-25(8-16)21-10-22(11-21)27(35)30-19(4)20-5-6-26(28-14-20)34-15-17(2)13-29-34;1-16-9-23(14-24-11-18(3)31-32-24)30-25(10-16)21-12-22(13-21)27(35)29-19(4)20-5-6-26(28-15-20)34-8-7-17(2)33-34;1-15-5-21(10-22-7-17(3)32-33-22)31-23(6-15)19-8-20(9-19)26(35)30-18(4)24-12-28-25(13-27-24)34-14-16(2)11-29-34;1-15-12-28-34(14-15)24-6-5-19(13-27-24)18(4)30-26(35)21-9-20(10-21)25-29-16(2)7-22(31-25)11-23-8-17(3)32-33-23;1-16-9-22(14-23-11-17(2)31-32-23)30-24(10-16)20-12-21(13-20)26(34)29-18(3)19-5-6-25(27-15-19)33-8-4-7-28-33;1-16-8-21(13-22-10-17(2)30-31-22)29-23(9-16)19-11-20(12-19)25(33)27-15-18-4-5-24(26-14-18)32-7-3-6-28-32/h5-9,13-15,19,21-22H,10-12H2,1-4H3,(H,30,35)(H,32,33);5-11,15,19,21-22H,12-14H2,1-4H3,(H,29,35)(H,31,32);5-7,11-14,18-20H,8-10H2,1-4H3,(H,30,35)(H,32,33);5-8,12-14,18,20-21H,9-11H2,1-4H3,(H,30,35)(H,32,33);4-11,15,18,20-21H,12-14H2,1-3H3,(H,29,34)(H,31,32);3-10,14,19-20H,11-13,15H2,1-2H3,(H,27,33)(H,30,31)/t2*19-,21?,22?;18-,19?,20?;2*18-,20?,21?;/m00101./s1 |
| InChIKey | ZHQXGWYLGYGOCM-UOISHRPWSA-N |
| XLogP | 23.25 |
| TPSA | 634.06 Ų |
| H-Bond Donors | 12 |
| H-Bond Acceptors | 38 |
| Rotatable Bonds | 42 |
| Heavy Atoms | 207 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2777.45 |
| LogP ≤ 5 | 23.25 |
| H-Bond Donors ≤ 5 | 12 |
| H-Bond Acceptors ≤ 10 | 38 |