C151H144F2N58O7 — CID 157390179
N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-ethynylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 157390179) has the molecular formula C151H144F2N58O7 and a molecular weight of 2921.21 g/mol. Its IUPAC name is N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-ethynylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide.
| Compound Name | N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-ethynylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide |
|---|---|
| PubChem CID | 157390179 |
| Molecular Formula | C151H144F2N58O7 |
| Molecular Weight | 2921.21 g/mol |
| Exact Mass | 2919.27 |
| IUPAC Name | N-[[4-(1,1-difluoroethoxy)phenyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;N-[[6-(4-ethynylpyrazol-1-yl)-3-pyridinyl]methyl]-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(1S)-1-(6-pyrazol-1-yl-3-pyridinyl)ethyl]pyridine-2-carboxamide;3-methyl-5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyridine-2-carboxamide;5-[4-methyl-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl]-N-[[5-(4-methylpyrazol-1-yl)pyrazin-2-yl]methyl]pyridine-2-carboxamide |
| SMILES | C#Cc1cnn(-c2ccc(CNC(=O)c3ccc(-c4nc(C)cc(Nc5cc(C)[nH]n5)n4)cn3)cn2)c1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(-n4nc(C)cc4C)nc3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2ccc(C(=O)NCc3ccc(OC(C)(F)F)cc3)nc2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2cnc(C(=O)NCc3ccc(-n4cccn4)nc3)c(C)c2)n1.Cc1cc(Nc2cc(C)[nH]n2)nc(-c2cnc(C(=O)N[C@@H](C)c3ccc(-n4cccn4)nc3)c(C)c2)n1.Cc1cnn(-c2cnc(CNC(=O)c3ccc(-c4nc(C)cc(Nc5cc(C)[nH]n5)n4)cn3)cn2)c1 |
| InChI | InChI=1S/2C26H26N10O.C26H22N10O.C25H24N10O.C24H23F2N7O2.C24H23N11O/c1-15-10-22(31-23-11-16(2)33-34-23)32-25(30-15)20-6-7-21(27-14-20)26(37)29-13-19-5-8-24(28-12-19)36-18(4)9-17(3)35-36;1-15-10-20(25-30-16(2)11-21(33-25)32-22-12-17(3)34-35-22)14-28-24(15)26(37)31-18(4)19-6-7-23(27-13-19)36-9-5-8-29-36;1-4-18-13-30-36(15-18)24-8-5-19(11-28-24)12-29-26(37)21-7-6-20(14-27-21)25-31-16(2)9-22(33-25)32-23-10-17(3)34-35-23;1-15-9-19(24-30-16(2)10-20(32-24)31-21-11-17(3)33-34-21)14-27-23(15)25(36)28-13-18-5-6-22(26-12-18)35-8-4-7-29-35;1-14-10-20(30-21-11-15(2)32-33-21)31-22(29-14)17-6-9-19(27-13-17)23(34)28-12-16-4-7-18(8-5-16)35-24(3,25)26;1-14-8-29-35(13-14)22-12-25-18(10-27-22)11-28-24(36)19-5-4-17(9-26-19)23-30-15(2)6-20(32-23)31-21-7-16(3)33-34-21/h5-12,14H,13H2,1-4H3,(H,29,37)(H2,30,31,32,33,34);5-14,18H,1-4H3,(H,31,37)(H2,30,32,33,34,35);1,5-11,13-15H,12H2,2-3H3,(H,29,37)(H2,31,32,33,34,35);4-12,14H,13H2,1-3H3,(H,28,36)(H2,30,31,32,33,34);4-11,13H,12H2,1-3H3,(H,28,34)(H2,29,30,31,32,33);4-10,12-13H,11H2,1-3H3,(H,28,36)(H2,30,31,32,33,34)/t;18-;;;;/m.0..../s1 |
| InChIKey | BLXKGGOMTVIKAK-ZOBNKJNKSA-N |
| XLogP | 21.69 |
| TPSA | 826.55 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 53 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 218 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2921.21 |
| LogP ≤ 5 | 21.69 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 53 |
| Structural Alerts | {'alert_name': 'triple_bond', 'substructure': 'N/A'} |
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