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 (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-6,7-dihydro-4H-indazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol;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;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;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

C195H275F11N28O13 — CID 159759602

IUPACtert-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 (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-6,7-dihydro-4H-indazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol;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;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;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
SMILESC=C1C=CC(n2cccn2)=NN1C(C)C.CC(C)C1CCCN1C(=O)C1CCCC1.CC(C)[C@@H]1C[C@@H](OCc2ccccc2)CN1.CC(C)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)OC(C)(C)C.CC(C)[C@@H]1C[C@H](c2ccccc2)CN1C(=O)OC(C)(C)C.CC(C)[C@H]1CC[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C.CC(C)c1nc2cccc3c2n1CCC3.CC(C)n1c2c(c(=O)n1C)CCCC2.CC(C)n1ccnc1-c1ccccc1.CC(C)n1nc(C(C)(F)F)c2c1C(O)C1CC21.CC(C)n1nc(C(C)(F)F)c2c1CCC(F)(F)C2.CC(C)n1nc(OCc2ncccn2)c2c1CCCC2.CC(C)n1nc2c(c1C(F)(F)F)CCC2.CC(C)n1nc2c(c1C(F)(F)OCc1ccccn1)CCCC2
InChIInChI=1S/C19H29NO3.2C18H27NO2.C17H21F2N3O.C15H20N4O.C14H21NO.C13H16N2.C13H23NO.C12H16F4N2.C12H16F2N2O.C12H14N2.C11H14N4.C11H18N2O.C10H13F3N2/c1-14(2)17-11-16(22-13-15-9-7-6-8-10-15)12-20(17)18(21)23-19(3,4)5;1-13(2)16-11-15(14-9-7-6-8-10-14)12-19(16)17(20)21-18(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;1-11(2)14-8-13(9-15-14)16-10-12-6-4-3-5-7-12;1-9(2)13-14-11-7-3-5-10-6-4-8-15(13)12(10)11;1-10(2)12-8-5-9-14(12)13(15)11-6-3-4-7-11;1-7(2)18-9-4-5-12(15,16)6-8(9)10(17-18)11(3,13)14;1-5(2)16-9-8(6-4-7(6)10(9)17)11(15-16)12(3,13)14;1-10(2)14-9-8-13-12(14)11-6-4-3-5-7-11;1-9(2)15-10(3)5-6-11(13-15)14-8-4-7-12-14;1-8(2)13-10-7-5-4-6-9(10)11(14)12(13)3;1-6(2)15-9(10(11,12)13)7-4-3-5-8(7)14-15/h6-10,14,16-17H,11-13H2,1-5H3;2*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;3-7,11,13-15H,8-10H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;10-12H,3-9H2,1-2H3;7H,4-6H2,1-3H3;5-7,10,17H,4H2,1-3H3;3-10H,1-2H3;4-9H,3H2,1-2H3;8H,4-7H2,1-3H3;6H,3-5H2,1-2H3/t16-,17+;15-,16-;15-,16+;;;13-,14+;;;;;;;;/m101..1......../s1
InChIKeyNERYXDMWDVNPPP-QEGFJZLWSA-N
MW3428.51 g/mol
LogP44.70
Rot. Bonds33

About 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 (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-6,7-dihydro-4H-indazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol;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;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;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

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 (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-6,7-dihydro-4H-indazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol;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;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;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 (PubChem CID 159759602) has the molecular formula C195H275F11N28O13 and a molecular weight of 3428.51 g/mol. Its IUPAC name is 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 (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-6,7-dihydro-4H-indazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol;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;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;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.

Molecular Properties

Compound Nametert-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 (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-6,7-dihydro-4H-indazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol;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;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;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
PubChem CID159759602
Molecular FormulaC195H275F11N28O13
Molecular Weight3428.51 g/mol
Exact Mass3426.15
IUPAC Nametert-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 (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-6,7-dihydro-4H-indazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol;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;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;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
SMILESC=C1C=CC(n2cccn2)=NN1C(C)C.CC(C)C1CCCN1C(=O)C1CCCC1.CC(C)[C@@H]1C[C@@H](OCc2ccccc2)CN1.CC(C)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)OC(C)(C)C.CC(C)[C@@H]1C[C@H](c2ccccc2)CN1C(=O)OC(C)(C)C.CC(C)[C@H]1CC[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C.CC(C)c1nc2cccc3c2n1CCC3.CC(C)n1c2c(c(=O)n1C)CCCC2.CC(C)n1ccnc1-c1ccccc1.CC(C)n1nc(C(C)(F)F)c2c1C(O)C1CC21.CC(C)n1nc(C(C)(F)F)c2c1CCC(F)(F)C2.CC(C)n1nc(OCc2ncccn2)c2c1CCCC2.CC(C)n1nc2c(c1C(F)(F)F)CCC2.CC(C)n1nc2c(c1C(F)(F)OCc1ccccn1)CCCC2
InChIInChI=1S/C19H29NO3.2C18H27NO2.C17H21F2N3O.C15H20N4O.C14H21NO.C13H16N2.C13H23NO.C12H16F4N2.C12H16F2N2O.C12H14N2.C11H14N4.C11H18N2O.C10H13F3N2/c1-14(2)17-11-16(22-13-15-9-7-6-8-10-15)12-20(17)18(21)23-19(3,4)5;1-13(2)16-11-15(14-9-7-6-8-10-14)12-19(16)17(20)21-18(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;1-11(2)14-8-13(9-15-14)16-10-12-6-4-3-5-7-12;1-9(2)13-14-11-7-3-5-10-6-4-8-15(13)12(10)11;1-10(2)12-8-5-9-14(12)13(15)11-6-3-4-7-11;1-7(2)18-9-4-5-12(15,16)6-8(9)10(17-18)11(3,13)14;1-5(2)16-9-8(6-4-7(6)10(9)17)11(15-16)12(3,13)14;1-10(2)14-9-8-13-12(14)11-6-4-3-5-7-11;1-9(2)15-10(3)5-6-11(13-15)14-8-4-7-12-14;1-8(2)13-10-7-5-4-6-9(10)11(14)12(13)3;1-6(2)15-9(10(11,12)13)7-4-3-5-8(7)14-15/h6-10,14,16-17H,11-13H2,1-5H3;2*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;3-7,11,13-15H,8-10H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;10-12H,3-9H2,1-2H3;7H,4-6H2,1-3H3;5-7,10,17H,4H2,1-3H3;3-10H,1-2H3;4-9H,3H2,1-2H3;8H,4-7H2,1-3H3;6H,3-5H2,1-2H3/t16-,17+;15-,16-;15-,16+;;;13-,14+;;;;;;;;/m101..1......../s1
InChIKeyNERYXDMWDVNPPP-QEGFJZLWSA-N
XLogP44.70
TPSA401.87 Ų
H-Bond Donors2
H-Bond Acceptors37
Rotatable Bonds33
Heavy Atoms247
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003428.51
LogP ≤ 544.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

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

Analyze 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 (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-6,7-dihydro-4H-indazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol;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;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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 (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-6,7-dihydro-4H-indazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol;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;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;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?
The IUPAC name of 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 (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-6,7-dihydro-4H-indazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol;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;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;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 (CID 159759602) is 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 (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-6,7-dihydro-4H-indazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol;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;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;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.
What is the SMILES notation for 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 (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-6,7-dihydro-4H-indazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol;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;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;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?
The canonical SMILES for 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 (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-6,7-dihydro-4H-indazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol;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;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;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 is C=C1C=CC(n2cccn2)=NN1C(C)C.CC(C)C1CCCN1C(=O)C1CCCC1.CC(C)[C@@H]1C[C@@H](OCc2ccccc2)CN1.CC(C)[C@@H]1C[C@@H](OCc2ccccc2)CN1C(=O)OC(C)(C)C.CC(C)[C@@H]1C[C@H](c2ccccc2)CN1C(=O)OC(C)(C)C.CC(C)[C@H]1CC[C@@H](c2ccccc2)N1C(=O)OC(C)(C)C.CC(C)c1nc2cccc3c2n1CCC3.CC(C)n1c2c(c(=O)n1C)CCCC2.CC(C)n1ccnc1-c1ccccc1.CC(C)n1nc(C(C)(F)F)c2c1C(O)C1CC21.CC(C)n1nc(C(C)(F)F)c2c1CCC(F)(F)C2.CC(C)n1nc(OCc2ncccn2)c2c1CCCC2.CC(C)n1nc2c(c1C(F)(F)F)CCC2.CC(C)n1nc2c(c1C(F)(F)OCc1ccccn1)CCCC2.
What is the InChIKey of 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 (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-6,7-dihydro-4H-indazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol;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;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;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?
The InChIKey is NERYXDMWDVNPPP-QEGFJZLWSA-N. The full InChI is InChI=1S/C19H29NO3.2C18H27NO2.C17H21F2N3O.C15H20N4O.C14H21NO.C13H16N2.C13H23NO.C12H16F4N2.C12H16F2N2O.C12H14N2.C11H14N4.C11H18N2O.C10H13F3N2/c1-14(2)17-11-16(22-13-15-9-7-6-8-10-15)12-20(17)18(21)23-19(3,4)5;1-13(2)16-11-15(14-9-7-6-8-10-14)12-19(16)17(20)21-18(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;1-11(2)14-8-13(9-15-14)16-10-12-6-4-3-5-7-12;1-9(2)13-14-11-7-3-5-10-6-4-8-15(13)12(10)11;1-10(2)12-8-5-9-14(12)13(15)11-6-3-4-7-11;1-7(2)18-9-4-5-12(15,16)6-8(9)10(17-18)11(3,13)14;1-5(2)16-9-8(6-4-7(6)10(9)17)11(15-16)12(3,13)14;1-10(2)14-9-8-13-12(14)11-6-4-3-5-7-11;1-9(2)15-10(3)5-6-11(13-15)14-8-4-7-12-14;1-8(2)13-10-7-5-4-6-9(10)11(14)12(13)3;1-6(2)15-9(10(11,12)13)7-4-3-5-8(7)14-15/h6-10,14,16-17H,11-13H2,1-5H3;2*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;3-7,11,13-15H,8-10H2,1-2H3;3,5,7,9H,4,6,8H2,1-2H3;10-12H,3-9H2,1-2H3;7H,4-6H2,1-3H3;5-7,10,17H,4H2,1-3H3;3-10H,1-2H3;4-9H,3H2,1-2H3;8H,4-7H2,1-3H3;6H,3-5H2,1-2H3/t16-,17+;15-,16-;15-,16+;;;13-,14+;;;;;;;;/m101..1......../s1.
What are the key properties of 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 (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-6,7-dihydro-4H-indazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol;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;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;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?
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 (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-6,7-dihydro-4H-indazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol;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;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;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 has a molecular weight of 3428.51 g/mol, XLogP of 44.70, 33 rotatable bonds, 2 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 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 (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;cyclopentyl-(2-propan-2-ylpyrrolidin-1-yl)methanone;3-(1,1-difluoroethyl)-5,5-difluoro-1-propan-2-yl-6,7-dihydro-4H-indazole;9-(1,1-difluoroethyl)-7-propan-2-yl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-5-ol;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;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-phenyl-1-propan-2-ylimidazole;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;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 is sourced from PubChem (CID 159759602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).