C111H110N36O4 — CID 157335884
N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide (PubChem CID 157335884) has the molecular formula C111H110N36O4 and a molecular weight of 2012.35 g/mol. Its IUPAC name is N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide.
| Compound Name | N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 157335884 |
| Molecular Formula | C111H110N36O4 |
| Molecular Weight | 2012.35 g/mol |
| Exact Mass | 2010.95 |
| IUPAC Name | N-[[6-(3-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-cyclopropylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[(1S)-1-[6-(4-methylpyrazol-1-yl)-3-pyridinyl]ethyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)methyl]pyrimidin-2-yl]-N-[[6-(4-propylpyrazol-1-yl)-3-pyridinyl]methyl]pyridine-2-carboxamide |
| SMILES | CCCc1cnn(-c2ccc(CNC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4cc(C5CC5)cn4)nc3)nc2)n1.Cc1cc(Cc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4ccc(C5CC5)n4)nc3)nc2)n1.Cc1cnn(-c2ccc([C@H](C)NC(=O)c3ccc(-c4nc(C)cc(Cc5cc(C)[nH]n5)n4)cn3)cn2)c1 |
| InChI | InChI=1S/2C28H27N9O.C28H29N9O.C27H27N9O/c1-17-9-23(11-24-10-18(2)35-36-24)34-27(33-17)21-6-7-25(29-14-21)28(38)31-13-19-3-8-26(30-12-19)37-16-22(15-32-37)20-4-5-20;1-17-11-22(13-23-12-18(2)34-35-23)33-27(32-17)21-6-7-25(29-16-21)28(38)31-15-19-3-8-26(30-14-19)37-10-9-24(36-37)20-4-5-20;1-4-5-21-15-32-37(17-21)26-9-6-20(13-30-26)14-31-28(38)25-8-7-22(16-29-25)27-33-18(2)10-23(34-27)12-24-11-19(3)35-36-24;1-16-12-30-36(15-16)25-8-6-20(13-29-25)19(4)32-27(37)24-7-5-21(14-28-24)26-31-17(2)9-22(33-26)11-23-10-18(3)34-35-23/h3,6-10,12,14-16,20H,4-5,11,13H2,1-2H3,(H,31,38)(H,35,36);3,6-12,14,16,20H,4-5,13,15H2,1-2H3,(H,31,38)(H,34,35);6-11,13,15-17H,4-5,12,14H2,1-3H3,(H,31,38)(H,35,36);5-10,12-15,19H,11H2,1-4H3,(H,32,37)(H,34,35)/t;;;19-/m...0/s1 |
| InChIKey | BFVHHDBWCLDGAD-NYBMIIRXSA-N |
| XLogP | 15.50 |
| TPSA | 508.64 Ų |
| H-Bond Donors | 8 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 151 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2012.35 |
| LogP ≤ 5 | 15.50 |
| H-Bond Donors ≤ 5 | 8 |
| H-Bond Acceptors ≤ 10 | 32 |