2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[4-[3-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-2-methyl-1H-1,2,4-triazol-2-ium-5-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4,4-dimethyl-6,7-dihydro-1H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide

C206H220Cl4F5N56O8+ — CID 160924483

IUPAC2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[4-[3-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-2-methyl-1H-1,2,4-triazol-2-ium-5-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4,4-dimethyl-6,7-dihydro-1H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)cc1F.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)c(C(F)(F)F)c1.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1Cl.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1F.CCN1CCc2[nH]c(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)nc2C1(C)C.CCN1CCc2[nH]c(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)nc2C1C.CCN1CCc2c(nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)n2C)C1.CCN1CCc2nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)[n+](C)[nH]4)cc3)n(C)c2C1
InChIInChI=1S/C30H34N8.3C29H32N8.C23H22ClF3N6O2.C22H22Cl2N6O2.C22H22ClFN6O2.C22H23FN6O2/c1-5-38-15-14-24-27(30(38,2)3)34-28(32-24)19-8-10-20(11-9-19)29-33-25(37(4)36-29)16-21-12-13-23-22(17-31-35-23)26(21)18-6-7-18;1-4-37-14-13-25-24(17-37)31-29(35(25)2)20-9-7-19(8-10-20)28-32-26(36(3)34-28)15-21-11-12-23-22(16-30-33-23)27(21)18-5-6-18;1-4-37-14-13-24-25(17-37)35(2)29(31-24)20-9-7-19(8-10-20)28-32-26(36(3)34-28)15-21-11-12-23-22(16-30-33-23)27(21)18-5-6-18;1-4-37-14-13-24-27(17(37)2)33-28(31-24)19-7-9-20(10-8-19)29-32-25(36(3)35-29)15-21-11-12-23-22(16-30-34-23)26(21)18-5-6-18;1-12(2)29-20(34)11-35-14-5-6-15(17(9-14)23(25,26)27)22-30-19(33(3)32-22)8-13-4-7-18-16(21(13)24)10-28-31-18;1-12(2)26-20(31)11-32-18-7-5-14(8-16(18)23)22-27-19(30(3)29-22)9-13-4-6-17-15(21(13)24)10-25-28-17;1-12(2)26-20(31)11-32-18-7-5-14(8-16(18)24)22-27-19(30(3)29-22)9-13-4-6-17-15(21(13)23)10-25-28-17;1-13(2)25-21(30)12-31-19-7-5-15(10-17(19)23)22-26-20(29(3)28-22)9-14-4-6-18-16(8-14)11-24-27-18/h8-13,17-18H,5-7,14-16H2,1-4H3,(H,31,35)(H,32,34);2*7-12,16,18H,4-6,13-15,17H2,1-3H3,(H,30,33);7-12,16-18H,4-6,13-15H2,1-3H3,(H,30,34)(H,31,33);4-7,9-10,12H,8,11H2,1-3H3,(H,28,31)(H,29,34);2*4-8,10,12H,9,11H2,1-3H3,(H,25,28)(H,26,31);4-8,10-11,13H,9,12H2,1-3H3,(H,24,27)(H,25,30)/p+1
InChIKeyHHYGPDYBEKHDTN-UHFFFAOYSA-O
MW3845.21 g/mol
LogP34.44
Rot. Bonds52

About 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[4-[3-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-2-methyl-1H-1,2,4-triazol-2-ium-5-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4,4-dimethyl-6,7-dihydro-1H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide

2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[4-[3-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-2-methyl-1H-1,2,4-triazol-2-ium-5-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4,4-dimethyl-6,7-dihydro-1H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide (PubChem CID 160924483) has the molecular formula C206H220Cl4F5N56O8+ and a molecular weight of 3845.21 g/mol. Its IUPAC name is 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[4-[3-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-2-methyl-1H-1,2,4-triazol-2-ium-5-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4,4-dimethyl-6,7-dihydro-1H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[4-[3-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-2-methyl-1H-1,2,4-triazol-2-ium-5-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4,4-dimethyl-6,7-dihydro-1H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
PubChem CID160924483
Molecular FormulaC206H220Cl4F5N56O8+
Molecular Weight3845.21 g/mol
Exact Mass3840.72
IUPAC Name2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[4-[3-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-2-methyl-1H-1,2,4-triazol-2-ium-5-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4,4-dimethyl-6,7-dihydro-1H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)cc1F.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)c(C(F)(F)F)c1.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1Cl.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1F.CCN1CCc2[nH]c(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)nc2C1(C)C.CCN1CCc2[nH]c(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)nc2C1C.CCN1CCc2c(nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)n2C)C1.CCN1CCc2nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)[n+](C)[nH]4)cc3)n(C)c2C1
InChIInChI=1S/C30H34N8.3C29H32N8.C23H22ClF3N6O2.C22H22Cl2N6O2.C22H22ClFN6O2.C22H23FN6O2/c1-5-38-15-14-24-27(30(38,2)3)34-28(32-24)19-8-10-20(11-9-19)29-33-25(37(4)36-29)16-21-12-13-23-22(17-31-35-23)26(21)18-6-7-18;1-4-37-14-13-25-24(17-37)31-29(35(25)2)20-9-7-19(8-10-20)28-32-26(36(3)34-28)15-21-11-12-23-22(16-30-33-23)27(21)18-5-6-18;1-4-37-14-13-24-25(17-37)35(2)29(31-24)20-9-7-19(8-10-20)28-32-26(36(3)34-28)15-21-11-12-23-22(16-30-33-23)27(21)18-5-6-18;1-4-37-14-13-24-27(17(37)2)33-28(31-24)19-7-9-20(10-8-19)29-32-25(36(3)35-29)15-21-11-12-23-22(16-30-34-23)26(21)18-5-6-18;1-12(2)29-20(34)11-35-14-5-6-15(17(9-14)23(25,26)27)22-30-19(33(3)32-22)8-13-4-7-18-16(21(13)24)10-28-31-18;1-12(2)26-20(31)11-32-18-7-5-14(8-16(18)23)22-27-19(30(3)29-22)9-13-4-6-17-15(21(13)24)10-25-28-17;1-12(2)26-20(31)11-32-18-7-5-14(8-16(18)24)22-27-19(30(3)29-22)9-13-4-6-17-15(21(13)23)10-25-28-17;1-13(2)25-21(30)12-31-19-7-5-15(10-17(19)23)22-26-20(29(3)28-22)9-14-4-6-18-16(8-14)11-24-27-18/h8-13,17-18H,5-7,14-16H2,1-4H3,(H,31,35)(H,32,34);2*7-12,16,18H,4-6,13-15,17H2,1-3H3,(H,30,33);7-12,16-18H,4-6,13-15H2,1-3H3,(H,30,34)(H,31,33);4-7,9-10,12H,8,11H2,1-3H3,(H,28,31)(H,29,34);2*4-8,10,12H,9,11H2,1-3H3,(H,25,28)(H,26,31);4-8,10-11,13H,9,12H2,1-3H3,(H,24,27)(H,25,30)/p+1
InChIKeyHHYGPDYBEKHDTN-UHFFFAOYSA-O
XLogP34.44
TPSA736.25 Ų
H-Bond Donors15
H-Bond Acceptors48
Rotatable Bonds52
Heavy Atoms279
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003845.21
LogP ≤ 534.44
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1048

Analyze 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[4-[3-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-2-methyl-1H-1,2,4-triazol-2-ium-5-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4,4-dimethyl-6,7-dihydro-1H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[4-[3-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-2-methyl-1H-1,2,4-triazol-2-ium-5-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4,4-dimethyl-6,7-dihydro-1H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[4-[3-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-2-methyl-1H-1,2,4-triazol-2-ium-5-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4,4-dimethyl-6,7-dihydro-1H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide (CID 160924483) is 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[4-[3-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-2-methyl-1H-1,2,4-triazol-2-ium-5-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4,4-dimethyl-6,7-dihydro-1H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[4-[3-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-2-methyl-1H-1,2,4-triazol-2-ium-5-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4,4-dimethyl-6,7-dihydro-1H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[4-[3-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-2-methyl-1H-1,2,4-triazol-2-ium-5-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4,4-dimethyl-6,7-dihydro-1H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide is CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3)n(C)n2)cc1F.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)c(C(F)(F)F)c1.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1Cl.CC(C)NC(=O)COc1ccc(-c2nc(Cc3ccc4[nH]ncc4c3Cl)n(C)n2)cc1F.CCN1CCc2[nH]c(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)nc2C1(C)C.CCN1CCc2[nH]c(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)nc2C1C.CCN1CCc2c(nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)n(C)n4)cc3)n2C)C1.CCN1CCc2nc(-c3ccc(-c4nc(Cc5ccc6[nH]ncc6c5C5CC5)[n+](C)[nH]4)cc3)n(C)c2C1.
What is the InChIKey of 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[4-[3-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-2-methyl-1H-1,2,4-triazol-2-ium-5-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4,4-dimethyl-6,7-dihydro-1H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
The InChIKey is HHYGPDYBEKHDTN-UHFFFAOYSA-O. The full InChI is InChI=1S/C30H34N8.3C29H32N8.C23H22ClF3N6O2.C22H22Cl2N6O2.C22H22ClFN6O2.C22H23FN6O2/c1-5-38-15-14-24-27(30(38,2)3)34-28(32-24)19-8-10-20(11-9-19)29-33-25(37(4)36-29)16-21-12-13-23-22(17-31-35-23)26(21)18-6-7-18;1-4-37-14-13-25-24(17-37)31-29(35(25)2)20-9-7-19(8-10-20)28-32-26(36(3)34-28)15-21-11-12-23-22(16-30-33-23)27(21)18-5-6-18;1-4-37-14-13-24-25(17-37)35(2)29(31-24)20-9-7-19(8-10-20)28-32-26(36(3)34-28)15-21-11-12-23-22(16-30-33-23)27(21)18-5-6-18;1-4-37-14-13-24-27(17(37)2)33-28(31-24)19-7-9-20(10-8-19)29-32-25(36(3)35-29)15-21-11-12-23-22(16-30-34-23)26(21)18-5-6-18;1-12(2)29-20(34)11-35-14-5-6-15(17(9-14)23(25,26)27)22-30-19(33(3)32-22)8-13-4-7-18-16(21(13)24)10-28-31-18;1-12(2)26-20(31)11-32-18-7-5-14(8-16(18)23)22-27-19(30(3)29-22)9-13-4-6-17-15(21(13)24)10-25-28-17;1-12(2)26-20(31)11-32-18-7-5-14(8-16(18)24)22-27-19(30(3)29-22)9-13-4-6-17-15(21(13)23)10-25-28-17;1-13(2)25-21(30)12-31-19-7-5-15(10-17(19)23)22-26-20(29(3)28-22)9-14-4-6-18-16(8-14)11-24-27-18/h8-13,17-18H,5-7,14-16H2,1-4H3,(H,31,35)(H,32,34);2*7-12,16,18H,4-6,13-15,17H2,1-3H3,(H,30,33);7-12,16-18H,4-6,13-15H2,1-3H3,(H,30,34)(H,31,33);4-7,9-10,12H,8,11H2,1-3H3,(H,28,31)(H,29,34);2*4-8,10,12H,9,11H2,1-3H3,(H,25,28)(H,26,31);4-8,10-11,13H,9,12H2,1-3H3,(H,24,27)(H,25,30)/p+1.
What are the key properties of 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[4-[3-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-2-methyl-1H-1,2,4-triazol-2-ium-5-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4,4-dimethyl-6,7-dihydro-1H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide?
2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[4-[3-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-2-methyl-1H-1,2,4-triazol-2-ium-5-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4,4-dimethyl-6,7-dihydro-1H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide has a molecular weight of 3845.21 g/mol, XLogP of 34.44, 52 rotatable bonds, 15 hydrogen bond donors, and 48 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-2-fluorophenoxy]-N-propan-2-ylacetamide;2-[4-[5-[(4-chloro-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]-3-(trifluoromethyl)phenoxy]-N-propan-2-ylacetamide;2-[4-[3-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-2-methyl-1H-1,2,4-triazol-2-ium-5-yl]phenyl]-5-ethyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4,4-dimethyl-6,7-dihydro-1H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine;2-[4-[5-[(4-cyclopropyl-1H-indazol-5-yl)methyl]-1-methyl-1,2,4-triazol-3-yl]phenyl]-5-ethyl-4-methyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine;2-[2-fluoro-4-[5-(1H-indazol-5-ylmethyl)-1-methyl-1,2,4-triazol-3-yl]phenoxy]-N-propan-2-ylacetamide is sourced from PubChem (CID 160924483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).