tert-butyl (2S,4R)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S)-4-oxo-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-(2-phenylethyl)-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (3S)-3-propan-2-ylmorpholine-4-carboxylate;5-(cyclopenten-1-yl)-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;methane;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole

C165H254F9N21O19 — CID 158182311

IUPACtert-butyl (2S,4R)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S)-4-oxo-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-(2-phenylethyl)-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (3S)-3-propan-2-ylmorpholine-4-carboxylate;5-(cyclopenten-1-yl)-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;methane;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole
SMILESC.CC(C)C1COCCN1C(=O)OC(C)(C)C.CC(C)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C.CC(C)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C.CC(C)[C@@H]1CC[C@H](c2ccccc2)N1C(=O)OC(C)(C)C.CC(C)[C@@H]1C[C@@H](CCc2ccccc2)CN1C(=O)OC(C)(C)C.CC(C)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C.CC(C)c1[nH]nc2ccc(C(F)(F)F)cc12.CC(C)n1c2c(c(=O)n1C)CCCC2.CC(C)n1nc(C(C)(F)F)c2c1CCC2.CC(C)n1nc(C(C)(F)F)cc1C1=CCCC1.CC(C)n1nc(OCc2ncccn2)c2c1CCCC2.CC(C)n1nc2c(c1C(F)(F)OCc1ccccn1)CCCC2
InChIInChI=1S/C20H31NO2.C18H27NO2.C17H21F2N3O.C15H20N4O.C13H18F2N2.C12H23NO3.C12H21NO3.C12H23NO3.C12H21NO3.C11H11F3N2.C11H16F2N2.C11H18N2O.CH4/c1-15(2)18-13-17(12-11-16-9-7-6-8-10-16)14-21(18)19(22)23-20(3,4)5;1-13(2)15-11-12-16(14-9-7-6-8-10-14)19(15)17(20)21-18(3,4)5;1-12(2)22-16(14-8-3-4-9-15(14)21-22)17(18,19)23-11-13-7-5-6-10-20-13;1-11(2)19-13-7-4-3-6-12(13)15(18-19)20-10-14-16-8-5-9-17-14;1-9(2)17-11(10-6-4-5-7-10)8-12(16-17)13(3,14)15;2*1-8(2)10-6-9(14)7-13(10)11(15)16-12(3,4)5;1-9(2)10-8-15-7-6-13(10)11(14)16-12(3,4)5;1-8(2)9-6-7-10(14)13(9)11(15)16-12(3,4)5;1-6(2)10-8-5-7(11(12,13)14)3-4-9(8)15-16-10;1-7(2)15-9-6-4-5-8(9)10(14-15)11(3,12)13;1-8(2)13-10-7-5-4-6-9(10)11(14)12(13)3;/h6-10,15,17-18H,11-14H2,1-5H3;6-10,13,15-16H,11-12H2,1-5H3;5-7,10,12H,3-4,8-9,11H2,1-2H3;5,8-9,11H,3-4,6-7,10H2,1-2H3;6,8-9H,4-5,7H2,1-3H3;8-10,14H,6-7H2,1-5H3;8,10H,6-7H2,1-5H3;9-10H,6-8H2,1-5H3;8-9H,6-7H2,1-5H3;3-6H,1-2H3,(H,15,16);7H,4-6H2,1-3H3;8H,4-7H2,1-3H3;1H4/t17-,18+;15-,16+;;;;9-,10+;10-;;9-;;;;/m10...10.0..../s1
InChIKeyFYSYURMPQASOQI-KSKFMWBKSA-N
MW3006.96 g/mol
LogP38.68
Rot. Bonds26

About tert-butyl (2S,4R)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S)-4-oxo-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-(2-phenylethyl)-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (3S)-3-propan-2-ylmorpholine-4-carboxylate;5-(cyclopenten-1-yl)-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;methane;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole

tert-butyl (2S,4R)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S)-4-oxo-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-(2-phenylethyl)-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (3S)-3-propan-2-ylmorpholine-4-carboxylate;5-(cyclopenten-1-yl)-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;methane;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole (PubChem CID 158182311) has the molecular formula C165H254F9N21O19 and a molecular weight of 3006.96 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S)-4-oxo-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-(2-phenylethyl)-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (3S)-3-propan-2-ylmorpholine-4-carboxylate;5-(cyclopenten-1-yl)-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;methane;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S)-4-oxo-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-(2-phenylethyl)-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (3S)-3-propan-2-ylmorpholine-4-carboxylate;5-(cyclopenten-1-yl)-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;methane;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole
PubChem CID158182311
Molecular FormulaC165H254F9N21O19
Molecular Weight3006.96 g/mol
Exact Mass3004.94
IUPAC Nametert-butyl (2S,4R)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S)-4-oxo-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-(2-phenylethyl)-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (3S)-3-propan-2-ylmorpholine-4-carboxylate;5-(cyclopenten-1-yl)-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;methane;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole
SMILESC.CC(C)C1COCCN1C(=O)OC(C)(C)C.CC(C)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C.CC(C)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C.CC(C)[C@@H]1CC[C@H](c2ccccc2)N1C(=O)OC(C)(C)C.CC(C)[C@@H]1C[C@@H](CCc2ccccc2)CN1C(=O)OC(C)(C)C.CC(C)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C.CC(C)c1[nH]nc2ccc(C(F)(F)F)cc12.CC(C)n1c2c(c(=O)n1C)CCCC2.CC(C)n1nc(C(C)(F)F)c2c1CCC2.CC(C)n1nc(C(C)(F)F)cc1C1=CCCC1.CC(C)n1nc(OCc2ncccn2)c2c1CCCC2.CC(C)n1nc2c(c1C(F)(F)OCc1ccccn1)CCCC2
InChIInChI=1S/C20H31NO2.C18H27NO2.C17H21F2N3O.C15H20N4O.C13H18F2N2.C12H23NO3.C12H21NO3.C12H23NO3.C12H21NO3.C11H11F3N2.C11H16F2N2.C11H18N2O.CH4/c1-15(2)18-13-17(12-11-16-9-7-6-8-10-16)14-21(18)19(22)23-20(3,4)5;1-13(2)15-11-12-16(14-9-7-6-8-10-14)19(15)17(20)21-18(3,4)5;1-12(2)22-16(14-8-3-4-9-15(14)21-22)17(18,19)23-11-13-7-5-6-10-20-13;1-11(2)19-13-7-4-3-6-12(13)15(18-19)20-10-14-16-8-5-9-17-14;1-9(2)17-11(10-6-4-5-7-10)8-12(16-17)13(3,14)15;2*1-8(2)10-6-9(14)7-13(10)11(15)16-12(3,4)5;1-9(2)10-8-15-7-6-13(10)11(14)16-12(3,4)5;1-8(2)9-6-7-10(14)13(9)11(15)16-12(3,4)5;1-6(2)10-8-5-7(11(12,13)14)3-4-9(8)15-16-10;1-7(2)15-9-6-4-5-8(9)10(14-15)11(3,12)13;1-8(2)13-10-7-5-4-6-9(10)11(14)12(13)3;/h6-10,15,17-18H,11-14H2,1-5H3;6-10,13,15-16H,11-12H2,1-5H3;5-7,10,12H,3-4,8-9,11H2,1-2H3;5,8-9,11H,3-4,6-7,10H2,1-2H3;6,8-9H,4-5,7H2,1-3H3;8-10,14H,6-7H2,1-5H3;8,10H,6-7H2,1-5H3;9-10H,6-8H2,1-5H3;8-9H,6-7H2,1-5H3;3-6H,1-2H3,(H,15,16);7H,4-6H2,1-3H3;8H,4-7H2,1-3H3;1H4/t17-,18+;15-,16+;;;;9-,10+;10-;;9-;;;;/m10...10.0..../s1
InChIKeyFYSYURMPQASOQI-KSKFMWBKSA-N
XLogP38.68
TPSA424.86 Ų
H-Bond Donors2
H-Bond Acceptors33
Rotatable Bonds26
Heavy Atoms214
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003006.96
LogP ≤ 538.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl (2S,4R)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S)-4-oxo-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-(2-phenylethyl)-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (3S)-3-propan-2-ylmorpholine-4-carboxylate;5-(cyclopenten-1-yl)-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;methane;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole with MolForge

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Related Compounds

5-[5-(azetidin-1-ylmethyl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-[5-(morpholin-4-ylmethyl)-3-pyridinyl]-N-pyridin-4-yl-1H-indazole-3-carboxamide;5-(5-phenoxy-3-pyridinyl)-N-pyridin-4-yl-1H-indazole-3-carboxamide
CID 157102765
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-(2-methylpyrimidin-5-yl)-1H-indazole-3-carboxamide;N-[5-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[5-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 157405004
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-oxopyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-2H-indazol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157921154
tert-butyl 2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl 4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-6,7-dihydro-4H-indazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;methane;6-methylidene-1-propan-2-yl-3-pyrazol-1-ylpyridazine;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;2-phenyl-1-propan-2-ylimidazole;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole
CID 158118106
N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide;(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-[difluoro(pyridin-2-ylmethoxy)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-5,7-dihydro-4H-pyrano[4,3-d]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-2H-indazol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158253697
N-[(1S)-1-[5-(7H-cyclopenta[b]pyridin-3-yl)pyrimidin-4-yl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-ethoxy-4,5,6,7-tetrahydro-2H-indazol-1-ium-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(2S,4R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(2S,4R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-phenylpyrrolidine-2-carboxamide;(2S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]pyrrolidine-2-carboxamide
CID 158587054
tert-butyl (2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;6-methylidene-1-propan-2-yl-3-pyrazol-1-ylpyridazine;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole
CID 158588875
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide;methane
CID 158624173
5-[5-[(4,4-difluoropiperidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;5-[5-[(3,3-difluoropyrrolidin-1-yl)methyl]-3-pyridinyl]-N-[6-[2-(dimethylamino)ethyl-methylamino]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-[5-[(4-hydroxypiperidin-1-yl)methyl]-3-pyridinyl]-1H-indazole-3-carboxamide;N-[6-[(dimethylamino)methyl]-3-pyridinyl]-5-(5-phenoxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 159158044
5-[4-[(1S)-1-[[2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyrimidin-5-yl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(3-ethoxy-4,5,6,7-tetrahydro-2H-indazol-1-ium-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(2S,4R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-4-hydroxypyrrolidine-2-carboxamide;(2R,5S)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-5-phenylpyrrolidine-2-carboxamide;(2S,5R)-N-[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]-5-phenylpyrrolidine-2-carboxamide
CID 159294560
N-[(1S)-1-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;tert-butyl (2S)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-oxopyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]carbamoyl]-5-phenylpyrrolidine-1-carboxylate;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-[difluoro(pyridin-2-ylmethoxy)methyl]-4,5,6,7-tetrahydroindazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(trifluoromethyl)-2H-indazol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 159453000
tert-butyl (5S)-2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-phenyl-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-6-pyrazol-1-ylpyridazin-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole
CID 159529975

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S)-4-oxo-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-(2-phenylethyl)-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (3S)-3-propan-2-ylmorpholine-4-carboxylate;5-(cyclopenten-1-yl)-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;methane;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole?
The IUPAC name of tert-butyl (2S,4R)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S)-4-oxo-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-(2-phenylethyl)-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (3S)-3-propan-2-ylmorpholine-4-carboxylate;5-(cyclopenten-1-yl)-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;methane;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole (CID 158182311) is tert-butyl (2S,4R)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S)-4-oxo-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-(2-phenylethyl)-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (3S)-3-propan-2-ylmorpholine-4-carboxylate;5-(cyclopenten-1-yl)-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;methane;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole.
What is the SMILES notation for tert-butyl (2S,4R)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S)-4-oxo-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-(2-phenylethyl)-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (3S)-3-propan-2-ylmorpholine-4-carboxylate;5-(cyclopenten-1-yl)-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;methane;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole?
The canonical SMILES for tert-butyl (2S,4R)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S)-4-oxo-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-(2-phenylethyl)-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (3S)-3-propan-2-ylmorpholine-4-carboxylate;5-(cyclopenten-1-yl)-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;methane;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole is C.CC(C)C1COCCN1C(=O)OC(C)(C)C.CC(C)[C@@H]1CC(=O)CN1C(=O)OC(C)(C)C.CC(C)[C@@H]1CCC(=O)N1C(=O)OC(C)(C)C.CC(C)[C@@H]1CC[C@H](c2ccccc2)N1C(=O)OC(C)(C)C.CC(C)[C@@H]1C[C@@H](CCc2ccccc2)CN1C(=O)OC(C)(C)C.CC(C)[C@@H]1C[C@@H](O)CN1C(=O)OC(C)(C)C.CC(C)c1[nH]nc2ccc(C(F)(F)F)cc12.CC(C)n1c2c(c(=O)n1C)CCCC2.CC(C)n1nc(C(C)(F)F)c2c1CCC2.CC(C)n1nc(C(C)(F)F)cc1C1=CCCC1.CC(C)n1nc(OCc2ncccn2)c2c1CCCC2.CC(C)n1nc2c(c1C(F)(F)OCc1ccccn1)CCCC2.
What is the InChIKey of tert-butyl (2S,4R)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S)-4-oxo-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-(2-phenylethyl)-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (3S)-3-propan-2-ylmorpholine-4-carboxylate;5-(cyclopenten-1-yl)-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;methane;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole?
The InChIKey is FYSYURMPQASOQI-KSKFMWBKSA-N. The full InChI is InChI=1S/C20H31NO2.C18H27NO2.C17H21F2N3O.C15H20N4O.C13H18F2N2.C12H23NO3.C12H21NO3.C12H23NO3.C12H21NO3.C11H11F3N2.C11H16F2N2.C11H18N2O.CH4/c1-15(2)18-13-17(12-11-16-9-7-6-8-10-16)14-21(18)19(22)23-20(3,4)5;1-13(2)15-11-12-16(14-9-7-6-8-10-14)19(15)17(20)21-18(3,4)5;1-12(2)22-16(14-8-3-4-9-15(14)21-22)17(18,19)23-11-13-7-5-6-10-20-13;1-11(2)19-13-7-4-3-6-12(13)15(18-19)20-10-14-16-8-5-9-17-14;1-9(2)17-11(10-6-4-5-7-10)8-12(16-17)13(3,14)15;2*1-8(2)10-6-9(14)7-13(10)11(15)16-12(3,4)5;1-9(2)10-8-15-7-6-13(10)11(14)16-12(3,4)5;1-8(2)9-6-7-10(14)13(9)11(15)16-12(3,4)5;1-6(2)10-8-5-7(11(12,13)14)3-4-9(8)15-16-10;1-7(2)15-9-6-4-5-8(9)10(14-15)11(3,12)13;1-8(2)13-10-7-5-4-6-9(10)11(14)12(13)3;/h6-10,15,17-18H,11-14H2,1-5H3;6-10,13,15-16H,11-12H2,1-5H3;5-7,10,12H,3-4,8-9,11H2,1-2H3;5,8-9,11H,3-4,6-7,10H2,1-2H3;6,8-9H,4-5,7H2,1-3H3;8-10,14H,6-7H2,1-5H3;8,10H,6-7H2,1-5H3;9-10H,6-8H2,1-5H3;8-9H,6-7H2,1-5H3;3-6H,1-2H3,(H,15,16);7H,4-6H2,1-3H3;8H,4-7H2,1-3H3;1H4/t17-,18+;15-,16+;;;;9-,10+;10-;;9-;;;;/m10...10.0..../s1.
What are the key properties of tert-butyl (2S,4R)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S)-4-oxo-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-(2-phenylethyl)-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (3S)-3-propan-2-ylmorpholine-4-carboxylate;5-(cyclopenten-1-yl)-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;methane;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole?
tert-butyl (2S,4R)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S)-4-oxo-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-(2-phenylethyl)-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (3S)-3-propan-2-ylmorpholine-4-carboxylate;5-(cyclopenten-1-yl)-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;methane;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole has a molecular weight of 3006.96 g/mol, XLogP of 38.68, 26 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-hydroxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S)-4-oxo-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (5S)-2-oxo-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,4R)-4-(2-phenylethyl)-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2R,5S)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (3S)-3-propan-2-ylmorpholine-4-carboxylate;5-(cyclopenten-1-yl)-3-(1,1-difluoroethyl)-1-propan-2-ylpyrazole;3-(1,1-difluoroethyl)-1-propan-2-yl-5,6-dihydro-4H-cyclopenta[d]pyrazole;3-[difluoro(pyridin-2-ylmethoxy)methyl]-2-propan-2-yl-4,5,6,7-tetrahydroindazole;methane;2-methyl-1-propan-2-yl-4,5,6,7-tetrahydroindazol-3-one;1-propan-2-yl-3-(pyrimidin-2-ylmethoxy)-4,5,6,7-tetrahydroindazole;3-propan-2-yl-5-(trifluoromethyl)-2H-indazole is sourced from PubChem (CID 158182311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).