1-[3-(8-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;tert-butyl 3-[[3-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)-hydroxymethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-isocyanatophenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylidene-8-azabicyclo[3.2.1]octane-8-carboxylate;3-[[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzoic acid;dihydrochloride

C186H264Cl2N18O28 — CID 161460879

About 1-[3-(8-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;tert-butyl 3-[[3-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)-hydroxymethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-isocyanatophenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylidene-8-azabicyclo[3.2.1]octane-8-carboxylate;3-[[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzoic acid;dihydrochloride

1-[3-(8-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;tert-butyl 3-[[3-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)-hydroxymethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-isocyanatophenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylidene-8-azabicyclo[3.2.1]octane-8-carboxylate;3-[[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzoic acid;dihydrochloride (PubChem CID 161460879) has the molecular formula C186H264Cl2N18O28 and a molecular weight of 3271.16 g/mol. Its IUPAC name is 1-[3-(8-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;tert-butyl 3-[[3-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)-hydroxymethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-isocyanatophenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylidene-8-azabicyclo[3.2.1]octane-8-carboxylate;3-[[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzoic acid;dihydrochloride.

Molecular Properties

• Compound Name: 1-[3-(8-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;tert-butyl 3-[[3-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)-hydroxymethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-isocyanatophenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylidene-8-azabicyclo[3.2.1]octane-8-carboxylate;3-[[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzoic acid;dihydrochloride
• PubChem CID: 161460879
• Molecular Formula: C186H264Cl2N18O28
• Molecular Weight: 3271.16 g/mol
• Exact Mass: 3267.92
• IUPAC Name: 1-[3-(8-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;tert-butyl 3-[[3-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)-hydroxymethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-isocyanatophenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylidene-8-azabicyclo[3.2.1]octane-8-carboxylate;3-[[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzoic acid;dihydrochloride
• SMILES: C=C1CC2CCC(C1)N2C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N1C2CCC1CC(C=O)C2.CC(C)(C)OC(=O)N1C2CCC1CC(CO)C2.CC(C)(C)OC(=O)N1C2CCC1CC(Cc1cccc(C(=O)O)c1)C2.CC(C)(C)OC(=O)N1C2CCC1CC(Cc1cccc(N=C=O)c1)C2.CCOC(=O)c1cccc(C(O)C2CC3CCC(C2)N3C(=O)OC(C)(C)C)c1.CCOC(=O)c1cccc(CC2CC3CCC(C2)N3C(=O)OC(C)(C)C)c1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(CC3CC4CCC(C3)N4)c2)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(CC3CC4CCC(C3)N4C(=O)OC(C)(C)C)c2)cc1.Cl.Cl
• InChI: InChI=1S/C34H45N5O3.C29H37N5O.C22H31NO5.C22H31NO4.C20H26N2O3.C20H27NO4.C13H23NO3.C13H21NO3.C13H21NO2.2ClH/c1-22-11-13-26(14-12-22)39-30(21-29(37-39)33(2,3)4)36-31(40)35-25-10-8-9-23(18-25)17-24-19-27-15-16-28(20-24)38(27)32(41)42-34(5,6)7;1-19-8-12-25(13-9-19)34-27(18-26(33-34)29(2,3)4)32-28(35)31-22-7-5-6-20(15-22)14-21-16-23-10-11-24(17-21)30-23;1-5-27-20(25)15-8-6-7-14(11-15)19(24)16-12-17-9-10-18(13-16)23(17)21(26)28-22(2,3)4;1-5-26-20(24)17-8-6-7-15(12-17)11-16-13-18-9-10-19(14-16)23(18)21(25)27-22(2,3)4;1-20(2,3)25-19(24)22-17-7-8-18(22)12-15(11-17)9-14-5-4-6-16(10-14)21-13-23;1-20(2,3)25-19(24)21-16-7-8-17(21)12-14(11-16)9-13-5-4-6-15(10-13)18(22)23;2*1-13(2,3)17-12(16)14-10-4-5-11(14)7-9(6-10)8-15;1-9-7-10-5-6-11(8-9)14(10)12(15)16-13(2,3)4;;/h8-14,18,21,24,27-28H,15-17,19-20H2,1-7H3,(H2,35,36,40);5-9,12-13,15,18,21,23-24,30H,10-11,14,16-17H2,1-4H3,(H2,31,32,35);6-8,11,16-19,24H,5,9-10,12-13H2,1-4H3;6-8,12,16,18-19H,5,9-11,13-14H2,1-4H3;4-6,10,15,17-18H,7-9,11-12H2,1-3H3;4-6,10,14,16-17H,7-9,11-12H2,1-3H3,(H,22,23);9-11,15H,4-8H2,1-3H3;8-11H,4-7H2,1-3H3;10-11H,1,5-8H2,2-4H3;2*1H
• InChIKey: PSCSZMQGEZWKRO-UHFFFAOYSA-N
• XLogP: 39.65
• TPSA: 543.11 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 33
• Rotatable Bonds: 26
• Heavy Atoms: 234
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3271.16
LogP ≤ 5	39.65
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isocyanate', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-(8-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;tert-butyl 3-[[3-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)-hydroxymethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-isocyanatophenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylidene-8-azabicyclo[3.2.1]octane-8-carboxylate;3-[[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzoic acid;dihydrochloride?

The IUPAC name of 1-[3-(8-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;tert-butyl 3-[[3-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)-hydroxymethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-isocyanatophenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylidene-8-azabicyclo[3.2.1]octane-8-carboxylate;3-[[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzoic acid;dihydrochloride (CID 161460879) is 1-[3-(8-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;tert-butyl 3-[[3-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)-hydroxymethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-isocyanatophenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylidene-8-azabicyclo[3.2.1]octane-8-carboxylate;3-[[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzoic acid;dihydrochloride.

What is the SMILES notation for 1-[3-(8-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;tert-butyl 3-[[3-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)-hydroxymethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-isocyanatophenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylidene-8-azabicyclo[3.2.1]octane-8-carboxylate;3-[[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzoic acid;dihydrochloride?

The canonical SMILES for 1-[3-(8-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;tert-butyl 3-[[3-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)-hydroxymethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-isocyanatophenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylidene-8-azabicyclo[3.2.1]octane-8-carboxylate;3-[[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzoic acid;dihydrochloride is C=C1CC2CCC(C1)N2C(=O)OC(C)(C)C.CC(C)(C)OC(=O)N1C2CCC1CC(C=O)C2.CC(C)(C)OC(=O)N1C2CCC1CC(CO)C2.CC(C)(C)OC(=O)N1C2CCC1CC(Cc1cccc(C(=O)O)c1)C2.CC(C)(C)OC(=O)N1C2CCC1CC(Cc1cccc(N=C=O)c1)C2.CCOC(=O)c1cccc(C(O)C2CC3CCC(C2)N3C(=O)OC(C)(C)C)c1.CCOC(=O)c1cccc(CC2CC3CCC(C2)N3C(=O)OC(C)(C)C)c1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(CC3CC4CCC(C3)N4)c2)cc1.Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(CC3CC4CCC(C3)N4C(=O)OC(C)(C)C)c2)cc1.Cl.Cl.

What is the InChIKey of 1-[3-(8-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;tert-butyl 3-[[3-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)-hydroxymethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-isocyanatophenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylidene-8-azabicyclo[3.2.1]octane-8-carboxylate;3-[[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzoic acid;dihydrochloride?

The InChIKey is PSCSZMQGEZWKRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H45N5O3.C29H37N5O.C22H31NO5.C22H31NO4.C20H26N2O3.C20H27NO4.C13H23NO3.C13H21NO3.C13H21NO2.2ClH/c1-22-11-13-26(14-12-22)39-30(21-29(37-39)33(2,3)4)36-31(40)35-25-10-8-9-23(18-25)17-24-19-27-15-16-28(20-24)38(27)32(41)42-34(5,6)7;1-19-8-12-25(13-9-19)34-27(18-26(33-34)29(2,3)4)32-28(35)31-22-7-5-6-20(15-22)14-21-16-23-10-11-24(17-21)30-23;1-5-27-20(25)15-8-6-7-14(11-15)19(24)16-12-17-9-10-18(13-16)23(17)21(26)28-22(2,3)4;1-5-26-20(24)17-8-6-7-15(12-17)11-16-13-18-9-10-19(14-16)23(18)21(25)27-22(2,3)4;1-20(2,3)25-19(24)22-17-7-8-18(22)12-15(11-17)9-14-5-4-6-16(10-14)21-13-23;1-20(2,3)25-19(24)21-16-7-8-17(21)12-14(11-16)9-13-5-4-6-15(10-13)18(22)23;2*1-13(2,3)17-12(16)14-10-4-5-11(14)7-9(6-10)8-15;1-9-7-10-5-6-11(8-9)14(10)12(15)16-13(2,3)4;;/h8-14,18,21,24,27-28H,15-17,19-20H2,1-7H3,(H2,35,36,40);5-9,12-13,15,18,21,23-24,30H,10-11,14,16-17H2,1-4H3,(H2,31,32,35);6-8,11,16-19,24H,5,9-10,12-13H2,1-4H3;6-8,12,16,18-19H,5,9-11,13-14H2,1-4H3;4-6,10,15,17-18H,7-9,11-12H2,1-3H3;4-6,10,14,16-17H,7-9,11-12H2,1-3H3,(H,22,23);9-11,15H,4-8H2,1-3H3;8-11H,4-7H2,1-3H3;10-11H,1,5-8H2,2-4H3;2*1H.

What are the key properties of 1-[3-(8-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;tert-butyl 3-[[3-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)-hydroxymethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-isocyanatophenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylidene-8-azabicyclo[3.2.1]octane-8-carboxylate;3-[[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzoic acid;dihydrochloride?

1-[3-(8-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;tert-butyl 3-[[3-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)-hydroxymethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-isocyanatophenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylidene-8-azabicyclo[3.2.1]octane-8-carboxylate;3-[[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzoic acid;dihydrochloride has a molecular weight of 3271.16 g/mol, XLogP of 39.65, 26 rotatable bonds, 8 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(8-azabicyclo[3.2.1]octan-3-ylmethyl)phenyl]-3-[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]urea;tert-butyl 3-[[3-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]carbamoylamino]phenyl]methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)-hydroxymethyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-ethoxycarbonylphenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-formyl-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-(hydroxymethyl)-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-[(3-isocyanatophenyl)methyl]-8-azabicyclo[3.2.1]octane-8-carboxylate;tert-butyl 3-methylidene-8-azabicyclo[3.2.1]octane-8-carboxylate;3-[[8-[(2-methylpropan-2-yl)oxycarbonyl]-8-azabicyclo[3.2.1]octan-3-yl]methyl]benzoic acid;dihydrochloride is sourced from PubChem (CID 161460879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).