3-(bromomethyl)azetidine;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]azetidine-1-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidine-1-carboxylate;1-[2-(cyclobutylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2,2,2-trifluoroethanone;phenyl N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;2,2,2-trifluoro-1-[3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidin-1-yl]ethanone

C165H159BrF12N38O29 — CID 160920295

About 3-(bromomethyl)azetidine;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]azetidine-1-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidine-1-carboxylate;1-[2-(cyclobutylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2,2,2-trifluoroethanone;phenyl N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;2,2,2-trifluoro-1-[3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidin-1-yl]ethanone

3-(bromomethyl)azetidine;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]azetidine-1-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidine-1-carboxylate;1-[2-(cyclobutylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2,2,2-trifluoroethanone;phenyl N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;2,2,2-trifluoro-1-[3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidin-1-yl]ethanone (PubChem CID 160920295) has the molecular formula C165H159BrF12N38O29 and a molecular weight of 3446.20 g/mol. Its IUPAC name is 3-(bromomethyl)azetidine;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]azetidine-1-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidine-1-carboxylate;1-[2-(cyclobutylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2,2,2-trifluoroethanone;phenyl N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;2,2,2-trifluoro-1-[3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidin-1-yl]ethanone.

Molecular Properties

• Compound Name: 3-(bromomethyl)azetidine;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]azetidine-1-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidine-1-carboxylate;1-[2-(cyclobutylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2,2,2-trifluoroethanone;phenyl N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;2,2,2-trifluoro-1-[3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidin-1-yl]ethanone
• PubChem CID: 160920295
• Molecular Formula: C165H159BrF12N38O29
• Molecular Weight: 3446.20 g/mol
• Exact Mass: 3443.11
• IUPAC Name: 3-(bromomethyl)azetidine;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]azetidine-1-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidine-1-carboxylate;1-[2-(cyclobutylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2,2,2-trifluoroethanone;phenyl N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;2,2,2-trifluoro-1-[3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidin-1-yl]ethanone
• SMILES: BrCC1CNC1.CC(C)(C)OC(=O)N1CC(Cn2cc3c(n2)CN(C(=O)Cc2nc(-c4ccc(F)cc4)ccc2[N+](=O)[O-])C3)C1.CC(C)(C)OC(=O)N1CC(Cn2ncc3c2CN(C(=O)Cc2nc(-c4ccc(F)cc4)ccc2[N+](=O)[O-])C3)C1.CC(C)(C)OC(=O)N1Cc2cn[nH]c2C1.O=C(Cc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-])N1Cc2cn(CC3CCC3)nc2C1.O=C(Cc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-])N1Cc2cn[nH]c2C1.O=C(Cc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-])N1Cc2cnn(CC3CN(C(=O)C(F)(F)F)C3)c2C1.O=C(N1Cc2cn[nH]c2C1)C(F)(F)F.O=C(Oc1ccccc1)N(C(=O)Oc1ccccc1)c1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-]
• InChI: InChI=1S/2C27H29FN6O5.C25H16FN3O6.C24H20F4N6O4.C23H22FN5O3.C18H14FN5O3.C10H15N3O2.C7H6F3N3O.C4H8BrN/c1-27(2,3)39-26(36)32-12-17(13-32)14-33-24-16-31(15-19(24)11-29-33)25(35)10-22-23(34(37)38)9-8-21(30-22)18-4-6-20(28)7-5-18;1-27(2,3)39-26(36)32-11-17(12-32)13-33-15-19-14-31(16-23(19)30-33)25(35)10-22-24(34(37)38)9-8-21(29-22)18-4-6-20(28)7-5-18;26-18-13-11-17(12-14-18)21-15-16-22(29(32)33)23(27-21)28(24(30)34-19-7-3-1-4-8-19)25(31)35-20-9-5-2-6-10-20;25-17-3-1-15(2-4-17)18-5-6-20(34(37)38)19(30-18)7-22(35)31-12-16-8-29-33(21(16)13-31)11-14-9-32(10-14)23(36)24(26,27)28;24-18-6-4-16(5-7-18)19-8-9-22(29(31)32)20(25-19)10-23(30)27-12-17-13-28(26-21(17)14-27)11-15-2-1-3-15;19-13-3-1-11(2-4-13)14-5-6-17(24(26)27)15(21-14)7-18(25)23-9-12-8-20-22-16(12)10-23;1-10(2,3)15-9(14)13-5-7-4-11-12-8(7)6-13;8-7(9,10)6(14)13-2-4-1-11-12-5(4)3-13;5-1-4-2-6-3-4/h4-9,11,17H,10,12-16H2,1-3H3;4-9,15,17H,10-14,16H2,1-3H3;1-16H;1-6,8,14H,7,9-13H2;4-9,13,15H,1-3,10-12,14H2;1-6,8H,7,9-10H2,(H,20,22);4H,5-6H2,1-3H3,(H,11,12);1H,2-3H2,(H,11,12);4,6H,1-3H2
• InChIKey: SRXZSTWIHWUQGO-UHFFFAOYSA-N
• XLogP: 26.54
• TPSA: 792.16 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 47
• Rotatable Bonds: 34
• Heavy Atoms: 245
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3446.20
LogP ≤ 5	26.54
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)azetidine;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]azetidine-1-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidine-1-carboxylate;1-[2-(cyclobutylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2,2,2-trifluoroethanone;phenyl N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;2,2,2-trifluoro-1-[3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidin-1-yl]ethanone?

The IUPAC name of 3-(bromomethyl)azetidine;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]azetidine-1-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidine-1-carboxylate;1-[2-(cyclobutylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2,2,2-trifluoroethanone;phenyl N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;2,2,2-trifluoro-1-[3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidin-1-yl]ethanone (CID 160920295) is 3-(bromomethyl)azetidine;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]azetidine-1-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidine-1-carboxylate;1-[2-(cyclobutylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2,2,2-trifluoroethanone;phenyl N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;2,2,2-trifluoro-1-[3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidin-1-yl]ethanone.

What is the SMILES notation for 3-(bromomethyl)azetidine;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]azetidine-1-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidine-1-carboxylate;1-[2-(cyclobutylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2,2,2-trifluoroethanone;phenyl N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;2,2,2-trifluoro-1-[3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidin-1-yl]ethanone?

The canonical SMILES for 3-(bromomethyl)azetidine;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]azetidine-1-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidine-1-carboxylate;1-[2-(cyclobutylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2,2,2-trifluoroethanone;phenyl N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;2,2,2-trifluoro-1-[3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidin-1-yl]ethanone is BrCC1CNC1.CC(C)(C)OC(=O)N1CC(Cn2cc3c(n2)CN(C(=O)Cc2nc(-c4ccc(F)cc4)ccc2[N+](=O)[O-])C3)C1.CC(C)(C)OC(=O)N1CC(Cn2ncc3c2CN(C(=O)Cc2nc(-c4ccc(F)cc4)ccc2[N+](=O)[O-])C3)C1.CC(C)(C)OC(=O)N1Cc2cn[nH]c2C1.O=C(Cc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-])N1Cc2cn(CC3CCC3)nc2C1.O=C(Cc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-])N1Cc2cn[nH]c2C1.O=C(Cc1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-])N1Cc2cnn(CC3CN(C(=O)C(F)(F)F)C3)c2C1.O=C(N1Cc2cn[nH]c2C1)C(F)(F)F.O=C(Oc1ccccc1)N(C(=O)Oc1ccccc1)c1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-].

What is the InChIKey of 3-(bromomethyl)azetidine;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]azetidine-1-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidine-1-carboxylate;1-[2-(cyclobutylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2,2,2-trifluoroethanone;phenyl N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;2,2,2-trifluoro-1-[3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidin-1-yl]ethanone?

The InChIKey is SRXZSTWIHWUQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H29FN6O5.C25H16FN3O6.C24H20F4N6O4.C23H22FN5O3.C18H14FN5O3.C10H15N3O2.C7H6F3N3O.C4H8BrN/c1-27(2,3)39-26(36)32-12-17(13-32)14-33-24-16-31(15-19(24)11-29-33)25(35)10-22-23(34(37)38)9-8-21(30-22)18-4-6-20(28)7-5-18;1-27(2,3)39-26(36)32-11-17(12-32)13-33-15-19-14-31(16-23(19)30-33)25(35)10-22-24(34(37)38)9-8-21(29-22)18-4-6-20(28)7-5-18;26-18-13-11-17(12-14-18)21-15-16-22(29(32)33)23(27-21)28(24(30)34-19-7-3-1-4-8-19)25(31)35-20-9-5-2-6-10-20;25-17-3-1-15(2-4-17)18-5-6-20(34(37)38)19(30-18)7-22(35)31-12-16-8-29-33(21(16)13-31)11-14-9-32(10-14)23(36)24(26,27)28;24-18-6-4-16(5-7-18)19-8-9-22(29(31)32)20(25-19)10-23(30)27-12-17-13-28(26-21(17)14-27)11-15-2-1-3-15;19-13-3-1-11(2-4-13)14-5-6-17(24(26)27)15(21-14)7-18(25)23-9-12-8-20-22-16(12)10-23;1-10(2,3)15-9(14)13-5-7-4-11-12-8(7)6-13;8-7(9,10)6(14)13-2-4-1-11-12-5(4)3-13;5-1-4-2-6-3-4/h4-9,11,17H,10,12-16H2,1-3H3;4-9,15,17H,10-14,16H2,1-3H3;1-16H;1-6,8,14H,7,9-13H2;4-9,13,15H,1-3,10-12,14H2;1-6,8H,7,9-10H2,(H,20,22);4H,5-6H2,1-3H3,(H,11,12);1H,2-3H2,(H,11,12);4,6H,1-3H2.

What are the key properties of 3-(bromomethyl)azetidine;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]azetidine-1-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidine-1-carboxylate;1-[2-(cyclobutylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2,2,2-trifluoroethanone;phenyl N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;2,2,2-trifluoro-1-[3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidin-1-yl]ethanone?

3-(bromomethyl)azetidine;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]azetidine-1-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidine-1-carboxylate;1-[2-(cyclobutylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2,2,2-trifluoroethanone;phenyl N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;2,2,2-trifluoro-1-[3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidin-1-yl]ethanone has a molecular weight of 3446.20 g/mol, XLogP of 26.54, 34 rotatable bonds, 4 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(bromomethyl)azetidine;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]methyl]azetidine-1-carboxylate;tert-butyl 3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidine-1-carboxylate;1-[2-(cyclobutylmethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]ethanone;1-(4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-5-yl)-2,2,2-trifluoroethanone;phenyl N-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-N-phenoxycarbonylcarbamate;2,2,2-trifluoro-1-[3-[[5-[2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]acetyl]-4,6-dihydropyrrolo[3,4-d]pyrazol-1-yl]methyl]azetidin-1-yl]ethanone is sourced from PubChem (CID 160920295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).