C273H293F24N55O19 — CID 157078255
N-[[4-(2-acetyl-2,7-diazaspiro[3.4]octan-7-yl)phenyl]methyl]-1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[4-(7-methyl-6-methylidene-2,7-diazaspiro[3.4]octan-2-yl)phenyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[4-(1-methyl-2-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl)phenyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[4-(2-prop-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[4-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phenyl]methyl]cyclopropane-1-carboxamide;N-[[2-fluoro-4-(4-prop-1-en-2-ylpiperazin-1-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[3-fluoro-4-(4-prop-1-en-2-ylpiperazin-1-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(7-methyl-6-methylidene-2,7-diazaspiro[3.4]octan-2-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide (PubChem CID 157078255) has the molecular formula C273H293F24N55O19 and a molecular weight of 5104.67 g/mol. Its IUPAC name is N-[[4-(2-acetyl-2,7-diazaspiro[3.4]octan-7-yl)phenyl]methyl]-1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[4-(7-methyl-6-methylidene-2,7-diazaspiro[3.4]octan-2-yl)phenyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[4-(1-methyl-2-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl)phenyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[4-(2-prop-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[4-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phenyl]methyl]cyclopropane-1-carboxamide;N-[[2-fluoro-4-(4-prop-1-en-2-ylpiperazin-1-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[3-fluoro-4-(4-prop-1-en-2-ylpiperazin-1-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(7-methyl-6-methylidene-2,7-diazaspiro[3.4]octan-2-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide.
| Compound Name | N-[[4-(2-acetyl-2,7-diazaspiro[3.4]octan-7-yl)phenyl]methyl]-1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[4-(7-methyl-6-methylidene-2,7-diazaspiro[3.4]octan-2-yl)phenyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[4-(1-methyl-2-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl)phenyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[4-(2-prop-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[4-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phenyl]methyl]cyclopropane-1-carboxamide;N-[[2-fluoro-4-(4-prop-1-en-2-ylpiperazin-1-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[3-fluoro-4-(4-prop-1-en-2-ylpiperazin-1-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(7-methyl-6-methylidene-2,7-diazaspiro[3.4]octan-2-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide |
|---|---|
| PubChem CID | 157078255 |
| Molecular Formula | C273H293F24N55O19 |
| Molecular Weight | 5104.67 g/mol |
| Exact Mass | 5101.33 |
| IUPAC Name | N-[[4-(2-acetyl-2,7-diazaspiro[3.4]octan-7-yl)phenyl]methyl]-1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[4-(7-methyl-6-methylidene-2,7-diazaspiro[3.4]octan-2-yl)phenyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[4-(1-methyl-2-methylidene-1,3,8-triazaspiro[4.5]decan-8-yl)phenyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[4-(2-prop-1-en-2-yl-2,6-diazaspiro[3.3]heptan-6-yl)phenyl]methyl]cyclopropane-1-carboxamide;1-[6-[[6-(difluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]-N-[[4-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phenyl]methyl]cyclopropane-1-carboxamide;N-[[2-fluoro-4-(4-prop-1-en-2-ylpiperazin-1-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[3-fluoro-4-(4-prop-1-en-2-ylpiperazin-1-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(7-methyl-6-methylidene-2,7-diazaspiro[3.4]octan-2-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide;N-[[4-(7-prop-1-en-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)phenyl]methyl]-1-[6-[[6-(trifluoromethyl)-3-pyridinyl]methoxy]pyridazin-3-yl]cyclopropane-1-carboxamide |
| SMILES | C=C(C)N1CC2(C1)CN(c1ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)F)nc5)nn4)CC3)cc1)C2.C=C(C)N1CCC2(CC1)CN(c1ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)cc1)C2.C=C(C)N1CCC2(CC1)CN(c1ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)F)nc5)nn4)CC3)cc1)C2.C=C(C)N1CCN(c2ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)c(F)c2)CC1.C=C(C)N1CCN(c2ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)cc2F)CC1.C=C1CC2(CN1C)CN(c1ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)(F)F)nc5)nn4)CC3)cc1)C2.C=C1CC2(CN1C)CN(c1ccc(CNC(=O)C3(c4ccc(OCc5ccc(C(F)F)nc5)nn4)CC3)cc1)C2.C=C1NCC2(CCN(c3ccc(CNC(=O)C4(c5ccc(OCc6ccc(C(F)F)nc6)nn5)CC4)cc3)CC2)N1C.CC(=O)N1CC2(CCN(c3ccc(CNC(=O)C4(c5ccc(OCc6ccc(C(F)F)nc6)nn5)CC4)cc3)C2)C1 |
| InChI | InChI=1S/C32H35F3N6O2.C32H36F2N6O2.C31H35F2N7O2.C30H31F3N6O2.C30H32F2N6O3.2C30H32F2N6O2.2C29H30F4N6O2/c1-22(2)40-15-13-30(14-16-40)20-41(21-30)25-6-3-23(4-7-25)17-37-29(42)31(11-12-31)26-9-10-28(39-38-26)43-19-24-5-8-27(36-18-24)32(33,34)35;1-22(2)39-15-13-31(14-16-39)20-40(21-31)25-6-3-23(4-7-25)17-36-30(41)32(11-12-32)27-9-10-28(38-37-27)42-19-24-5-8-26(29(33)34)35-18-24;1-21-36-20-30(39(21)2)13-15-40(16-14-30)24-6-3-22(4-7-24)17-35-29(41)31(11-12-31)26-9-10-27(38-37-26)42-19-23-5-8-25(28(32)33)34-18-23;1-20-13-28(17-38(20)2)18-39(19-28)23-6-3-21(4-7-23)14-35-27(40)29(11-12-29)24-9-10-26(37-36-24)41-16-22-5-8-25(34-15-22)30(31,32)33;1-20(39)38-18-29(19-38)12-13-37(17-29)23-5-2-21(3-6-23)14-34-28(40)30(10-11-30)25-8-9-26(36-35-25)41-16-22-4-7-24(27(31)32)33-15-22;1-20-13-29(17-37(20)2)18-38(19-29)23-6-3-21(4-7-23)14-34-28(39)30(11-12-30)25-9-10-26(36-35-25)40-16-22-5-8-24(27(31)32)33-15-22;1-20(2)37-16-29(17-37)18-38(19-29)23-6-3-21(4-7-23)13-34-28(39)30(11-12-30)25-9-10-26(36-35-25)40-15-22-5-8-24(27(31)32)33-14-22;1-19(2)38-11-13-39(14-12-38)22-5-4-21(23(30)15-22)17-35-27(40)28(9-10-28)24-7-8-26(37-36-24)41-18-20-3-6-25(34-16-20)29(31,32)33;1-19(2)38-11-13-39(14-12-38)23-5-3-20(15-22(23)30)16-35-27(40)28(9-10-28)24-7-8-26(37-36-24)41-18-21-4-6-25(34-17-21)29(31,32)33/h3-10,18H,1,11-17,19-21H2,2H3,(H,37,42);3-10,18,29H,1,11-17,19-21H2,2H3,(H,36,41);3-10,18,28,36H,1,11-17,19-20H2,2H3,(H,35,41);3-10,15H,1,11-14,16-19H2,2H3,(H,35,40);2-9,15,27H,10-14,16-19H2,1H3,(H,34,40);3-10,15,27H,1,11-14,16-19H2,2H3,(H,34,39);3-10,14,27H,1,11-13,15-19H2,2H3,(H,34,39);3-8,15-16H,1,9-14,17-18H2,2H3,(H,35,40);3-8,15,17H,1,9-14,16,18H2,2H3,(H,35,40) |
| InChIKey | ADFPZUJHOOQSEO-UHFFFAOYSA-N |
| XLogP | 40.78 |
| TPSA | 780.42 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 64 |
| Rotatable Bonds | 82 |
| Heavy Atoms | 371 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5104.67 |
| LogP ≤ 5 | 40.78 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 64 |