C112H104F3N35O8S — CID 162249700
6-[5-(cyclopropylmethylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[5-(dimethylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[5-(methanesulfonamido)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[5-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethylamino)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 162249700) has the molecular formula C112H104F3N35O8S and a molecular weight of 2157.36 g/mol. Its IUPAC name is 6-[5-(cyclopropylmethylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[5-(dimethylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[5-(methanesulfonamido)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[5-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethylamino)-3-pyridinyl]pyridine-2-carboxamide.
| Compound Name | 6-[5-(cyclopropylmethylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[5-(dimethylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[5-(methanesulfonamido)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[5-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethylamino)-3-pyridinyl]pyridine-2-carboxamide |
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| PubChem CID | 162249700 |
| Molecular Formula | C112H104F3N35O8S |
| Molecular Weight | 2157.36 g/mol |
| Exact Mass | 2155.85 |
| IUPAC Name | 6-[5-(cyclopropylmethylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[5-(dimethylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[5-(methanesulfonamido)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;6-[5-(2-methoxyethylamino)-3-pyridinyl]-N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)pyridine-2-carboxamide;N-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)-6-[5-(2,2,2-trifluoroethylamino)-3-pyridinyl]pyridine-2-carboxamide |
| SMILES | CN(C)c1cncc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccccn3)n2)c1.COCCNc1cncc(-c2cccc(C(=O)Nc3cn(C)nc3-c3ccccn3)n2)c1.Cn1cc(NC(=O)c2cccc(-c3cncc(NCC(F)(F)F)c3)n2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2cccc(-c3cncc(NCC4CC4)c3)n2)c(-c2ccccn2)n1.Cn1cc(NC(=O)c2cccc(-c3cncc(NS(C)(=O)=O)c3)n2)c(-c2ccccn2)n1 |
| InChI | InChI=1S/C24H23N7O.C23H23N7O2.C22H18F3N7O.C22H21N7O.C21H19N7O3S/c1-31-15-22(23(30-31)20-5-2-3-10-26-20)29-24(32)21-7-4-6-19(28-21)17-11-18(14-25-13-17)27-12-16-8-9-16;1-30-15-21(22(29-30)19-6-3-4-9-26-19)28-23(31)20-8-5-7-18(27-20)16-12-17(14-24-13-16)25-10-11-32-2;1-32-12-19(20(31-32)17-5-2-3-8-27-17)30-21(33)18-7-4-6-16(29-18)14-9-15(11-26-10-14)28-13-22(23,24)25;1-28(2)16-11-15(12-23-13-16)17-8-6-9-19(25-17)22(30)26-20-14-29(3)27-21(20)18-7-4-5-10-24-18;1-28-13-19(20(26-28)17-6-3-4-9-23-17)25-21(29)18-8-5-7-16(24-18)14-10-15(12-22-11-14)27-32(2,30)31/h2-7,10-11,13-16,27H,8-9,12H2,1H3,(H,29,32);3-9,12-15,25H,10-11H2,1-2H3,(H,28,31);2-12,28H,13H2,1H3,(H,30,33);4-14H,1-3H3,(H,26,30);3-13,27H,1-2H3,(H,25,29) |
| InChIKey | ZXUYUSDRCSFJAQ-UHFFFAOYSA-N |
| XLogP | 17.25 |
| TPSA | 522.68 Ų |
| H-Bond Donors | 9 |
| H-Bond Acceptors | 37 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 159 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2157.36 |
| LogP ≤ 5 | 17.25 |
| H-Bond Donors ≤ 5 | 9 |
| H-Bond Acceptors ≤ 10 | 37 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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