C174H166Cl7F23N46O18 — CID 158735795
N-[4-[chloro(difluoro)methoxy]phenyl]-6-(4-cyclopropylpiperazin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(1,8-diazaspiro[3.5]nonan-8-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-(2-fluoroethyl)piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-morpholin-4-yl-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide;6-morpholin-4-yl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 158735795) has the molecular formula C174H166Cl7F23N46O18 and a molecular weight of 3874.67 g/mol. Its IUPAC name is N-[4-[chloro(difluoro)methoxy]phenyl]-6-(4-cyclopropylpiperazin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(1,8-diazaspiro[3.5]nonan-8-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-(2-fluoroethyl)piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-morpholin-4-yl-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide;6-morpholin-4-yl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
| Compound Name | N-[4-[chloro(difluoro)methoxy]phenyl]-6-(4-cyclopropylpiperazin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(1,8-diazaspiro[3.5]nonan-8-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-(2-fluoroethyl)piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-morpholin-4-yl-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide;6-morpholin-4-yl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
|---|---|
| PubChem CID | 158735795 |
| Molecular Formula | C174H166Cl7F23N46O18 |
| Molecular Weight | 3874.67 g/mol |
| Exact Mass | 3869.09 |
| IUPAC Name | N-[4-[chloro(difluoro)methoxy]phenyl]-6-(4-cyclopropylpiperazin-1-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(1,8-diazaspiro[3.5]nonan-8-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-(4,7-diazaspiro[2.5]octan-7-yl)-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-(2,2-difluoroethyl)piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-[4-(2-fluoroethyl)piperazin-1-yl]-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-6-morpholin-4-yl-5-(1H-pyrazol-5-yl)pyridine-3-carboxamide;N-[4-[chloro(difluoro)methoxy]phenyl]-5-(1H-pyrazol-5-yl)-6-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyridine-3-carboxamide;6-morpholin-4-yl-5-(1H-pyrazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide |
| SMILES | O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCCC3(CCN3)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCN(C3CC3)CC2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCN(CC(F)(F)F)CC2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCN(CC(F)F)CC2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCN(CCF)CC2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCNC3(CC3)C2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)Cl)cc1)c1cnc(N2CCOCC2)c(-c2ccn[nH]2)c1.O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(N2CCOCC2)c(-c2ccn[nH]2)c1 |
| InChI | InChI=1S/2C23H23ClF2N6O2.C22H20ClF5N6O2.C22H21ClF4N6O2.C22H22ClF3N6O2.C22H21ClF2N6O2.C20H18ClF2N5O3.C20H18F3N5O3/c24-23(25,26)34-18-5-1-16(2-6-18)29-22(33)15-13-19(20-7-8-28-30-20)21(27-14-15)32-11-9-31(10-12-32)17-3-4-17;24-23(25,26)34-17-4-2-16(3-5-17)30-21(33)15-12-18(19-6-9-29-31-19)20(27-13-15)32-11-1-7-22(14-32)8-10-28-22;23-22(27,28)36-16-3-1-15(2-4-16)31-20(35)14-11-17(18-5-6-30-32-18)19(29-12-14)34-9-7-33(8-10-34)13-21(24,25)26;23-22(26,27)35-16-3-1-15(2-4-16)30-21(34)14-11-17(18-5-6-29-31-18)20(28-12-14)33-9-7-32(8-10-33)13-19(24)25;23-22(25,26)34-17-3-1-16(2-4-17)29-21(33)15-13-18(19-5-7-28-30-19)20(27-14-15)32-11-9-31(8-6-24)10-12-32;23-22(24,25)33-16-3-1-15(2-4-16)29-20(32)14-11-17(18-5-8-28-30-18)19(26-12-14)31-10-9-27-21(13-31)6-7-21;2*21-20(22,23)31-15-3-1-14(2-4-15)26-19(29)13-11-16(17-5-6-25-27-17)18(24-12-13)28-7-9-30-10-8-28/h1-2,5-8,13-14,17H,3-4,9-12H2,(H,28,30)(H,29,33);2-6,9,12-13,28H,1,7-8,10-11,14H2,(H,29,31)(H,30,33);1-6,11-12H,7-10,13H2,(H,30,32)(H,31,35);1-6,11-12,19H,7-10,13H2,(H,29,31)(H,30,34);1-5,7,13-14H,6,8-12H2,(H,28,30)(H,29,33);1-5,8,11-12,27H,6-7,9-10,13H2,(H,28,30)(H,29,32);2*1-6,11-12H,7-10H2,(H,25,27)(H,26,29) |
| InChIKey | ILQVOJPZHMCSIG-UHFFFAOYSA-N |
| XLogP | 32.26 |
| TPSA | 720.60 Ų |
| H-Bond Donors | 18 |
| H-Bond Acceptors | 48 |
| Rotatable Bonds | 53 |
| Heavy Atoms | 268 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3874.67 |
| LogP ≤ 5 | 32.26 |
| H-Bond Donors ≤ 5 | 18 |
| H-Bond Acceptors ≤ 10 | 48 |