C167H195F3N32O6S3 — CID 159696632
2-(cyclobutylmethyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(2-cyclopropylethyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(3-methylbutyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(2-methylpropyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[4-[1-(3-propan-2-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;1,1,1-trifluoro-N-[5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]methanesulfonamide (PubChem CID 159696632) has the molecular formula C167H195F3N32O6S3 and a molecular weight of 2899.81 g/mol. Its IUPAC name is 2-(cyclobutylmethyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(2-cyclopropylethyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(3-methylbutyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(2-methylpropyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[4-[1-(3-propan-2-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;1,1,1-trifluoro-N-[5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]methanesulfonamide.
| Compound Name | 2-(cyclobutylmethyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(2-cyclopropylethyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(3-methylbutyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(2-methylpropyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[4-[1-(3-propan-2-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;1,1,1-trifluoro-N-[5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]methanesulfonamide |
|---|---|
| PubChem CID | 159696632 |
| Molecular Formula | C167H195F3N32O6S3 |
| Molecular Weight | 2899.81 g/mol |
| Exact Mass | 2897.51 |
| IUPAC Name | 2-(cyclobutylmethyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(cyclopentylmethyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(2-cyclopropylethyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(3-methylbutyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;2-(2-methylpropyl)-5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]pyridine;N-[4-[1-(3-propan-2-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;N-[4-[1-(3-pyrrolidin-1-ylphenyl)pyrazol-4-yl]phenyl]methanesulfonamide;1,1,1-trifluoro-N-[5-[3-methyl-1-(2-propyl-4-pyridinyl)pyrazol-4-yl]-2-pyridinyl]methanesulfonamide |
| SMILES | CC(C)c1cccc(-n2cc(-c3ccc(NS(C)(=O)=O)cc3)cn2)c1.CCCc1cc(-n2cc(-c3ccc(CC(C)C)nc3)c(C)n2)ccn1.CCCc1cc(-n2cc(-c3ccc(CC4CCC4)nc3)c(C)n2)ccn1.CCCc1cc(-n2cc(-c3ccc(CC4CCCC4)nc3)c(C)n2)ccn1.CCCc1cc(-n2cc(-c3ccc(CCC(C)C)nc3)c(C)n2)ccn1.CCCc1cc(-n2cc(-c3ccc(CCC4CC4)nc3)c(C)n2)ccn1.CCCc1cc(-n2cc(-c3ccc(NS(=O)(=O)C(F)(F)F)nc3)c(C)n2)ccn1.CS(=O)(=O)Nc1ccc(-c2cnn(-c3cccc(N4CCCC4)c3)c2)cc1 |
| InChI | InChI=1S/C23H28N4.2C22H26N4.C22H28N4.C21H26N4.C20H22N4O2S.C19H21N3O2S.C18H18F3N5O2S/c1-3-6-20-14-22(11-12-24-20)27-16-23(17(2)26-27)19-9-10-21(25-15-19)13-18-7-4-5-8-18;1-3-5-19-13-21(10-11-23-19)26-15-22(16(2)25-26)18-8-9-20(24-14-18)12-17-6-4-7-17;1-3-4-20-13-21(11-12-23-20)26-15-22(16(2)25-26)18-8-10-19(24-14-18)9-7-17-5-6-17;1-5-6-20-13-21(11-12-23-20)26-15-22(17(4)25-26)18-8-10-19(24-14-18)9-7-16(2)3;1-5-6-18-12-20(9-10-22-18)25-14-21(16(4)24-25)17-7-8-19(23-13-17)11-15(2)3;1-27(25,26)22-18-9-7-16(8-10-18)17-14-21-24(15-17)20-6-4-5-19(13-20)23-11-2-3-12-23;1-14(2)16-5-4-6-19(11-16)22-13-17(12-20-22)15-7-9-18(10-8-15)21-25(3,23)24;1-3-4-14-9-15(7-8-22-14)26-11-16(12(2)24-26)13-5-6-17(23-10-13)25-29(27,28)18(19,20)21/h9-12,14-16,18H,3-8,13H2,1-2H3;8-11,13-15,17H,3-7,12H2,1-2H3;8,10-15,17H,3-7,9H2,1-2H3;8,10-16H,5-7,9H2,1-4H3;7-10,12-15H,5-6,11H2,1-4H3;4-10,13-15,22H,2-3,11-12H2,1H3;4-14,21H,1-3H3;5-11H,3-4H2,1-2H3,(H,23,25) |
| InChIKey | MXBZYZCTOSUGAN-UHFFFAOYSA-N |
| XLogP | 36.55 |
| TPSA | 438.99 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 35 |
| Rotatable Bonds | 48 |
| Heavy Atoms | 211 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2899.81 |
| LogP ≤ 5 | 36.55 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 35 |