(2-aminoacetyl)oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;hydrochloride

C124H135ClF12IN15O16 — CID 158253364

About (2-aminoacetyl)oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;hydrochloride

(2-aminoacetyl)oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;hydrochloride (PubChem CID 158253364) has the molecular formula C124H135ClF12IN15O16 and a molecular weight of 2481.87 g/mol. Its IUPAC name is (2-aminoacetyl)oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;hydrochloride.

Molecular Properties

• Compound Name: (2-aminoacetyl)oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;hydrochloride
• PubChem CID: 158253364
• Molecular Formula: C124H135ClF12IN15O16
• Molecular Weight: 2481.87 g/mol
• Exact Mass: 2479.88
• IUPAC Name: (2-aminoacetyl)oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;hydrochloride
• SMILES: CC(C)(C)OC(=O)NCC(=O)O.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3c1ccn3C(=O)OCI)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3c1ccn3C(=O)OCOC(=O)CN)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3c1ccn3C(=O)OCOC(=O)CNC(=O)OC(C)(C)C)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.Cl
• InChI: InChI=1S/C43H47F4N5O6.C38H39F4N5O4.C36H35F4IN4O2.C7H13NO4.ClH/c1-9-26-12-11-13-27(10-2)35(26)52-36(32-23-50(42(7,8)38(32)49-52)22-28-14-15-29(20-25(28)3)43(45,46)47)30-16-17-33(44)37-31(30)18-19-51(37)40(55)57-24-56-34(53)21-48-39(54)58-41(4,5)6;1-6-23-9-8-10-24(7-2)32(23)47-33(27-13-14-30(39)34-28(27)15-16-46(34)36(49)51-21-50-31(48)18-43)29-20-45(37(4,5)35(29)44-47)19-25-11-12-26(17-22(25)3)38(40,41)42;1-6-22-9-8-10-23(7-2)30(22)45-31(26-13-14-29(37)32-27(26)15-16-44(32)34(46)47-20-41)28-19-43(35(4,5)33(28)42-45)18-24-11-12-25(17-21(24)3)36(38,39)40;1-7(2,3)12-6(11)8-4-5(9)10;/h11-20H,9-10,21-24H2,1-8H3,(H,48,54);8-17H,6-7,18-21,43H2,1-5H3;8-17H,6-7,18-20H2,1-5H3;4H2,1-3H3,(H,8,11)(H,9,10);1H
• InChIKey: BQCAQIMXDPGRPA-UHFFFAOYSA-N
• XLogP: 27.86
• TPSA: 349.45 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2481.87
LogP ≤ 5	27.86
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (2-aminoacetyl)oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;hydrochloride?

The IUPAC name of (2-aminoacetyl)oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;hydrochloride (CID 158253364) is (2-aminoacetyl)oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;hydrochloride.

What is the SMILES notation for (2-aminoacetyl)oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;hydrochloride?

The canonical SMILES for (2-aminoacetyl)oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)NCC(=O)O.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3c1ccn3C(=O)OCI)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3c1ccn3C(=O)OCOC(=O)CN)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.CCc1cccc(CC)c1-n1nc2c(c1-c1ccc(F)c3c1ccn3C(=O)OCOC(=O)CNC(=O)OC(C)(C)C)CN(Cc1ccc(C(F)(F)F)cc1C)C2(C)C.Cl.

What is the InChIKey of (2-aminoacetyl)oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;hydrochloride?

The InChIKey is BQCAQIMXDPGRPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H47F4N5O6.C38H39F4N5O4.C36H35F4IN4O2.C7H13NO4.ClH/c1-9-26-12-11-13-27(10-2)35(26)52-36(32-23-50(42(7,8)38(32)49-52)22-28-14-15-29(20-25(28)3)43(45,46)47)30-16-17-33(44)37-31(30)18-19-51(37)40(55)57-24-56-34(53)21-48-39(54)58-41(4,5)6;1-6-23-9-8-10-24(7-2)32(23)47-33(27-13-14-30(39)34-28(27)15-16-46(34)36(49)51-21-50-31(48)18-43)29-20-45(37(4,5)35(29)44-47)19-25-11-12-26(17-22(25)3)38(40,41)42;1-6-22-9-8-10-23(7-2)30(22)45-31(26-13-14-29(37)32-27(26)15-16-44(32)34(46)47-20-41)28-19-43(35(4,5)33(28)42-45)18-24-11-12-25(17-21(24)3)36(38,39)40;1-7(2,3)12-6(11)8-4-5(9)10;/h11-20H,9-10,21-24H2,1-8H3,(H,48,54);8-17H,6-7,18-21,43H2,1-5H3;8-17H,6-7,18-20H2,1-5H3;4H2,1-3H3,(H,8,11)(H,9,10);1H.

What are the key properties of (2-aminoacetyl)oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;hydrochloride?

(2-aminoacetyl)oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;hydrochloride has a molecular weight of 2481.87 g/mol, XLogP of 27.86, 28 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for (2-aminoacetyl)oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;iodomethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;2-[(2-methylpropan-2-yl)oxycarbonylamino]acetic acid;[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]oxymethyl 4-[2-(2,6-diethylphenyl)-6,6-dimethyl-5-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoroindole-1-carboxylate;hydrochloride is sourced from PubChem (CID 158253364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).