C120H154F3N27O15 — CID 160551672
2,6-dimethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;1-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide;[3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;1-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-2-ylcyclopropane-1-carboxamide;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide (PubChem CID 160551672) has the molecular formula C120H154F3N27O15 and a molecular weight of 2271.72 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;1-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide;[3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;1-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-2-ylcyclopropane-1-carboxamide;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide.
| Compound Name | 2,6-dimethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;1-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide;[3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;1-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-2-ylcyclopropane-1-carboxamide;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide |
|---|---|
| PubChem CID | 160551672 |
| Molecular Formula | C120H154F3N27O15 |
| Molecular Weight | 2271.72 g/mol |
| Exact Mass | 2270.21 |
| IUPAC Name | 2,6-dimethoxy-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]benzamide;1-ethyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide;[3-[4-(1-methylpyrazol-4-yl)-6-propan-2-yloxy-2-pyridinyl]pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone;1-phenyl-N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]cyclopropane-1-carboxamide;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-1-pyridin-2-ylcyclopropane-1-carboxamide;N-[1-(5-propan-2-yl-1H-pyrazole-3-carbonyl)pyrrolidin-3-yl]-2-(trifluoromethoxy)benzamide |
| SMILES | CC(C)Oc1cc(-c2cnn(C)c2)cc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)n1.CC(C)c1cc(C(=O)N2CCC(NC(=O)C3(c4ccccc4)CC3)C2)n[nH]1.CC(C)c1cc(C(=O)N2CCC(NC(=O)C3(c4ccccn4)CC3)C2)n[nH]1.CC(C)c1cc(C(=O)N2CCC(NC(=O)c3ccccc3OC(F)(F)F)C2)n[nH]1.CCC1(C(=O)NC2CCN(C(=O)c3cc(C(C)C)[nH]n3)C2)CC1.COc1cccc(OC)c1C(=O)NC1CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 |
| InChI | InChI=1S/C23H30N6O2.C21H26N4O2.C20H25N5O2.C20H26N4O4.C19H21F3N4O3.C17H26N4O2/c1-14(2)19-10-21(27-26-19)23(30)29-7-6-16(13-29)20-8-17(18-11-24-28(5)12-18)9-22(25-20)31-15(3)4;1-14(2)17-12-18(24-23-17)19(26)25-11-8-16(13-25)22-20(27)21(9-10-21)15-6-4-3-5-7-15;1-13(2)15-11-16(24-23-15)18(26)25-10-6-14(12-25)22-19(27)20(7-8-20)17-5-3-4-9-21-17;1-12(2)14-10-15(23-22-14)20(26)24-9-8-13(11-24)21-19(25)18-16(27-3)6-5-7-17(18)28-4;1-11(2)14-9-15(25-24-14)18(28)26-8-7-12(10-26)23-17(27)13-5-3-4-6-16(13)29-19(20,21)22;1-4-17(6-7-17)16(23)18-12-5-8-21(10-12)15(22)14-9-13(11(2)3)19-20-14/h8-12,14-16H,6-7,13H2,1-5H3,(H,26,27);3-7,12,14,16H,8-11,13H2,1-2H3,(H,22,27)(H,23,24);3-5,9,11,13-14H,6-8,10,12H2,1-2H3,(H,22,27)(H,23,24);5-7,10,12-13H,8-9,11H2,1-4H3,(H,21,25)(H,22,23);3-6,9,11-12H,7-8,10H2,1-2H3,(H,23,27)(H,24,25);9,11-12H,4-8,10H2,1-3H3,(H,18,23)(H,19,20) |
| InChIKey | QYDSDNNAOMYXPK-UHFFFAOYSA-N |
| XLogP | 15.66 |
| TPSA | 519.96 Ų |
| H-Bond Donors | 11 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 32 |
| Heavy Atoms | 165 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2271.72 |
| LogP ≤ 5 | 15.66 |
| H-Bond Donors ≤ 5 | 11 |
| H-Bond Acceptors ≤ 10 | 25 |