tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole

C161H225ClF16N20O9 — CID 158015026

IUPACtert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCC(C)C1CCCN1C(=O)C1CCCC1.CC(C)[C@@H]1C[C@@H](OCc2ccccc2)CN1.CC(C)[C@@H]1C[C@H](Oc2ccccc2)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)n1nc(C(C)(F)F)c2c1C(O)C1CC21.CC(C)n1nc(C(C)(F)F)c2c1CCC(F)(F)C2.CC(C)n1nc(C(F)(F)Cl)c2c1CCCC2.CC(C)n1nc(C(F)(F)Oc2ccccc2)c2c1CCCC2.CC(C)n1nc2c(c1C(F)(F)F)CCC2.CC(C)n1nc2c(c1C(F)F)CC1CC21.CC(F)c1nn(C(C)C)c2c1CC1CC21
InChIInChI=1S/C18H27NO3.C18H27NO2.C17H20F2N2O.C14H21NO.C13H16N2.C13H23NO.C12H16F4N2.C12H16F2N2O.C12H17FN2.C11H15ClF2N2.C11H14F2N2.C10H13F3N2/c1-13(2)16-11-15(21-14-9-7-6-8-10-14)12-19(16)17(20)22-18(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)21-15-11-7-6-10-14(15)16(20-21)17(18,19)22-13-8-4-3-5-9-13;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;1-6(2)15-12-9-4-8(9)5-10(12)11(14-15)7(3)13;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-5(2)15-10(11(12)13)8-4-6-3-7(6)9(8)14-15;1-6(2)15-9(10(11,12)13)7-4-3-5-8(7)14-15/h6-10,13,15-16H,11-12H2,1-5H3;6-10,13,15-16H,11-12H2,1-5H3;3-5,8-9,12H,6-7,10-11H2,1-2H3;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;6-9H,4-5H2,1-3H3;7H,3-6H2,1-2H3;5-7,11H,3-4H2,1-2H3;6H,3-5H2,1-2H3/t15-,16-;15-,16+;;13-,14+;;;;;;;;/m01.1......../s1
InChIKeyFFIRXDCTNQOPPE-XAUGQDQWSA-N
MW2924.12 g/mol
LogP41.12
Rot. Bonds27

About tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole

tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole (PubChem CID 158015026) has the molecular formula C161H225ClF16N20O9 and a molecular weight of 2924.12 g/mol. Its IUPAC name is tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole.

Molecular Properties

Compound Nametert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
PubChem CID158015026
Molecular FormulaC161H225ClF16N20O9
Molecular Weight2924.12 g/mol
Exact Mass2921.72
IUPAC Nametert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole
SMILESCC(C)C1CCCN1C(=O)C1CCCC1.CC(C)[C@@H]1C[C@@H](OCc2ccccc2)CN1.CC(C)[C@@H]1C[C@H](Oc2ccccc2)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)n1nc(C(C)(F)F)c2c1C(O)C1CC21.CC(C)n1nc(C(C)(F)F)c2c1CCC(F)(F)C2.CC(C)n1nc(C(F)(F)Cl)c2c1CCCC2.CC(C)n1nc(C(F)(F)Oc2ccccc2)c2c1CCCC2.CC(C)n1nc2c(c1C(F)(F)F)CCC2.CC(C)n1nc2c(c1C(F)F)CC1CC21.CC(F)c1nn(C(C)C)c2c1CC1CC21
InChIInChI=1S/C18H27NO3.C18H27NO2.C17H20F2N2O.C14H21NO.C13H16N2.C13H23NO.C12H16F4N2.C12H16F2N2O.C12H17FN2.C11H15ClF2N2.C11H14F2N2.C10H13F3N2/c1-13(2)16-11-15(21-14-9-7-6-8-10-14)12-19(16)17(20)22-18(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)21-15-11-7-6-10-14(15)16(20-21)17(18,19)22-13-8-4-3-5-9-13;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;1-6(2)15-12-9-4-8(9)5-10(12)11(14-15)7(3)13;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-5(2)15-10(11(12)13)8-4-6-3-7(6)9(8)14-15;1-6(2)15-9(10(11,12)13)7-4-3-5-8(7)14-15/h6-10,13,15-16H,11-12H2,1-5H3;6-10,13,15-16H,11-12H2,1-5H3;3-5,8-9,12H,6-7,10-11H2,1-2H3;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;6-9H,4-5H2,1-3H3;7H,3-6H2,1-2H3;5-7,11H,3-4H2,1-2H3;6H,3-5H2,1-2H3/t15-,16-;15-,16+;;13-,14+;;;;;;;;/m01.1......../s1
InChIKeyFFIRXDCTNQOPPE-XAUGQDQWSA-N
XLogP41.12
TPSA281.90 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds27
Heavy Atoms207
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002924.12
LogP ≤ 541.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

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

Analyze tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;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,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The IUPAC name of tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole (CID 158015026) is tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole.
What is the SMILES notation for tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The canonical SMILES for tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole is CC(C)C1CCCN1C(=O)C1CCCC1.CC(C)[C@@H]1C[C@@H](OCc2ccccc2)CN1.CC(C)[C@@H]1C[C@H](Oc2ccccc2)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)n1nc(C(C)(F)F)c2c1C(O)C1CC21.CC(C)n1nc(C(C)(F)F)c2c1CCC(F)(F)C2.CC(C)n1nc(C(F)(F)Cl)c2c1CCCC2.CC(C)n1nc(C(F)(F)Oc2ccccc2)c2c1CCCC2.CC(C)n1nc2c(c1C(F)(F)F)CCC2.CC(C)n1nc2c(c1C(F)F)CC1CC21.CC(F)c1nn(C(C)C)c2c1CC1CC21.
What is the InChIKey of tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
The InChIKey is FFIRXDCTNQOPPE-XAUGQDQWSA-N. The full InChI is InChI=1S/C18H27NO3.C18H27NO2.C17H20F2N2O.C14H21NO.C13H16N2.C13H23NO.C12H16F4N2.C12H16F2N2O.C12H17FN2.C11H15ClF2N2.C11H14F2N2.C10H13F3N2/c1-13(2)16-11-15(21-14-9-7-6-8-10-14)12-19(16)17(20)22-18(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)21-15-11-7-6-10-14(15)16(20-21)17(18,19)22-13-8-4-3-5-9-13;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;1-6(2)15-12-9-4-8(9)5-10(12)11(14-15)7(3)13;1-7(2)16-9-6-4-3-5-8(9)10(15-16)11(12,13)14;1-5(2)15-10(11(12)13)8-4-6-3-7(6)9(8)14-15;1-6(2)15-9(10(11,12)13)7-4-3-5-8(7)14-15/h6-10,13,15-16H,11-12H2,1-5H3;6-10,13,15-16H,11-12H2,1-5H3;3-5,8-9,12H,6-7,10-11H2,1-2H3;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;6-9H,4-5H2,1-3H3;7H,3-6H2,1-2H3;5-7,11H,3-4H2,1-2H3;6H,3-5H2,1-2H3/t15-,16-;15-,16+;;13-,14+;;;;;;;;/m01.1......../s1.
What are the key properties of tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole?
tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole has a molecular weight of 2924.12 g/mol, XLogP of 41.12, 27 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4S)-4-phenoxy-2-propan-2-ylpyrrolidine-1-carboxylate;tert-butyl (2S,5R)-2-phenyl-5-propan-2-ylpyrrolidine-1-carboxylate;3-[chloro(difluoro)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;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;7-(difluoromethyl)-8-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-diene;3-[difluoro(phenoxy)methyl]-1-propan-2-yl-4,5,6,7-tetrahydroindazole;7-(1-fluoroethyl)-9-propan-2-yl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-diene;(2S,4R)-4-phenylmethoxy-2-propan-2-ylpyrrolidine;2-propan-2-yl-1,3-diazatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;2-propan-2-yl-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazole is sourced from PubChem (CID 158015026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).