(3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone;5-O-tert-butyl 1-O-ethyl 3-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;5-O-tert-butyl 1-O-ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-5-[(2S)-2,4,5,5-tetramethylpiperazine-1-carbonyl]-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;(5S)-1,2,2,5-tetramethylpiperazine

C100H159Cl4FN28O23 — CID 158089773

About (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone;5-O-tert-butyl 1-O-ethyl 3-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;5-O-tert-butyl 1-O-ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-5-[(2S)-2,4,5,5-tetramethylpiperazine-1-carbonyl]-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;(5S)-1,2,2,5-tetramethylpiperazine

(3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone;5-O-tert-butyl 1-O-ethyl 3-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;5-O-tert-butyl 1-O-ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-5-[(2S)-2,4,5,5-tetramethylpiperazine-1-carbonyl]-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;(5S)-1,2,2,5-tetramethylpiperazine (PubChem CID 158089773) has the molecular formula C100H159Cl4FN28O23 and a molecular weight of 2282.35 g/mol. Its IUPAC name is (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone;5-O-tert-butyl 1-O-ethyl 3-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;5-O-tert-butyl 1-O-ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-5-[(2S)-2,4,5,5-tetramethylpiperazine-1-carbonyl]-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;(5S)-1,2,2,5-tetramethylpiperazine.

Molecular Properties

• Compound Name: (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone;5-O-tert-butyl 1-O-ethyl 3-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;5-O-tert-butyl 1-O-ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-5-[(2S)-2,4,5,5-tetramethylpiperazine-1-carbonyl]-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;(5S)-1,2,2,5-tetramethylpiperazine
• PubChem CID: 158089773
• Molecular Formula: C100H159Cl4FN28O23
• Molecular Weight: 2282.35 g/mol
• Exact Mass: 2279.09
• IUPAC Name: (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone;5-O-tert-butyl 1-O-ethyl 3-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;5-O-tert-butyl 1-O-ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-5-[(2S)-2,4,5,5-tetramethylpiperazine-1-carbonyl]-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;(5S)-1,2,2,5-tetramethylpiperazine
• SMILES: CCOC(=O)Cl.CCOC(=O)Nc1nn(C(=O)OCC)c2c1CN(C(=O)Cl)C2(C)C.CCOC(=O)Nc1nn(C(=O)OCC)c2c1CN(C(=O)N1CC(C)(C)N(C)C[C@@H]1C)C2(C)C.CCOC(=O)Nc1nn(C(=O)OCC)c2c1CN(C(=O)OC(C)(C)C)C2(C)C.CCOC(=O)n1nc(N)c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2.C[C@H]1CN(C)C(C)(C)CN1.C[C@H]1CN(C)C(C)(C)CN1C(=O)N1Cc2c(N)n[nH]c2C1(C)C.Fc1cnc(Cl)nc1Cl
• InChI: InChI=1S/C22H36N6O5.C18H28N4O6.C16H28N6O.C15H24N4O4.C14H19ClN4O5.C8H18N2.C4HCl2FN2.C3H5ClO2/c1-9-32-18(29)23-17-15-12-27(19(30)26-13-21(4,5)25(8)11-14(26)3)22(6,7)16(15)28(24-17)20(31)33-10-2;1-8-26-14(23)19-13-11-10-21(15(24)28-17(3,4)5)18(6,7)12(11)22(20-13)16(25)27-9-2;1-10-7-20(6)15(2,3)9-21(10)14(23)22-8-11-12(16(22,4)5)18-19-13(11)17;1-7-22-13(21)19-10-9(11(16)17-19)8-18(15(10,5)6)12(20)23-14(2,3)4;1-5-23-12(21)16-10-8-7-18(11(15)20)14(3,4)9(8)19(17-10)13(22)24-6-2;1-7-5-10(4)8(2,3)6-9-7;5-3-2(7)1-8-4(6)9-3;1-2-6-3(4)5/h14H,9-13H2,1-8H3,(H,23,24,29);8-10H2,1-7H3,(H,19,20,23);10H,7-9H2,1-6H3,(H3,17,18,19);7-8H2,1-6H3,(H2,16,17);5-7H2,1-4H3,(H,16,17,21);7,9H,5-6H2,1-4H3;1H;2H2,1H3/t14-;;10-;;;7-;;/m0.0..0../s1
• InChIKey: FNYNKZFHFDZZIE-BIYJCOTISA-N
• XLogP: 17.37
• TPSA: 572.51 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 40
• Rotatable Bonds: 11
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2282.35
LogP ≤ 5	17.37
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone;5-O-tert-butyl 1-O-ethyl 3-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;5-O-tert-butyl 1-O-ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-5-[(2S)-2,4,5,5-tetramethylpiperazine-1-carbonyl]-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;(5S)-1,2,2,5-tetramethylpiperazine?

The IUPAC name of (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone;5-O-tert-butyl 1-O-ethyl 3-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;5-O-tert-butyl 1-O-ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-5-[(2S)-2,4,5,5-tetramethylpiperazine-1-carbonyl]-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;(5S)-1,2,2,5-tetramethylpiperazine (CID 158089773) is (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone;5-O-tert-butyl 1-O-ethyl 3-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;5-O-tert-butyl 1-O-ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-5-[(2S)-2,4,5,5-tetramethylpiperazine-1-carbonyl]-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;(5S)-1,2,2,5-tetramethylpiperazine.

What is the SMILES notation for (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone;5-O-tert-butyl 1-O-ethyl 3-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;5-O-tert-butyl 1-O-ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-5-[(2S)-2,4,5,5-tetramethylpiperazine-1-carbonyl]-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;(5S)-1,2,2,5-tetramethylpiperazine?

The canonical SMILES for (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone;5-O-tert-butyl 1-O-ethyl 3-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;5-O-tert-butyl 1-O-ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-5-[(2S)-2,4,5,5-tetramethylpiperazine-1-carbonyl]-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;(5S)-1,2,2,5-tetramethylpiperazine is CCOC(=O)Cl.CCOC(=O)Nc1nn(C(=O)OCC)c2c1CN(C(=O)Cl)C2(C)C.CCOC(=O)Nc1nn(C(=O)OCC)c2c1CN(C(=O)N1CC(C)(C)N(C)C[C@@H]1C)C2(C)C.CCOC(=O)Nc1nn(C(=O)OCC)c2c1CN(C(=O)OC(C)(C)C)C2(C)C.CCOC(=O)n1nc(N)c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2.C[C@H]1CN(C)C(C)(C)CN1.C[C@H]1CN(C)C(C)(C)CN1C(=O)N1Cc2c(N)n[nH]c2C1(C)C.Fc1cnc(Cl)nc1Cl.

What is the InChIKey of (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone;5-O-tert-butyl 1-O-ethyl 3-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;5-O-tert-butyl 1-O-ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-5-[(2S)-2,4,5,5-tetramethylpiperazine-1-carbonyl]-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;(5S)-1,2,2,5-tetramethylpiperazine?

The InChIKey is FNYNKZFHFDZZIE-BIYJCOTISA-N. The full InChI is InChI=1S/C22H36N6O5.C18H28N4O6.C16H28N6O.C15H24N4O4.C14H19ClN4O5.C8H18N2.C4HCl2FN2.C3H5ClO2/c1-9-32-18(29)23-17-15-12-27(19(30)26-13-21(4,5)25(8)11-14(26)3)22(6,7)16(15)28(24-17)20(31)33-10-2;1-8-26-14(23)19-13-11-10-21(15(24)28-17(3,4)5)18(6,7)12(11)22(20-13)16(25)27-9-2;1-10-7-20(6)15(2,3)9-21(10)14(23)22-8-11-12(16(22,4)5)18-19-13(11)17;1-7-22-13(21)19-10-9(11(16)17-19)8-18(15(10,5)6)12(20)23-14(2,3)4;1-5-23-12(21)16-10-8-7-18(11(15)20)14(3,4)9(8)19(17-10)13(22)24-6-2;1-7-5-10(4)8(2,3)6-9-7;5-3-2(7)1-8-4(6)9-3;1-2-6-3(4)5/h14H,9-13H2,1-8H3,(H,23,24,29);8-10H2,1-7H3,(H,19,20,23);10H,7-9H2,1-6H3,(H3,17,18,19);7-8H2,1-6H3,(H2,16,17);5-7H2,1-4H3,(H,16,17,21);7,9H,5-6H2,1-4H3;1H;2H2,1H3/t14-;;10-;;;7-;;/m0.0..0../s1.

What are the key properties of (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone;5-O-tert-butyl 1-O-ethyl 3-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;5-O-tert-butyl 1-O-ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-5-[(2S)-2,4,5,5-tetramethylpiperazine-1-carbonyl]-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;(5S)-1,2,2,5-tetramethylpiperazine?

(3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone;5-O-tert-butyl 1-O-ethyl 3-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;5-O-tert-butyl 1-O-ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-5-[(2S)-2,4,5,5-tetramethylpiperazine-1-carbonyl]-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;(5S)-1,2,2,5-tetramethylpiperazine has a molecular weight of 2282.35 g/mol, XLogP of 17.37, 11 rotatable bonds, 7 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for (3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl)-[(2S)-2,4,5,5-tetramethylpiperazin-1-yl]methanone;5-O-tert-butyl 1-O-ethyl 3-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;5-O-tert-butyl 1-O-ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-(ethoxycarbonylamino)-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;ethyl 3-(ethoxycarbonylamino)-6,6-dimethyl-5-[(2S)-2,4,5,5-tetramethylpiperazine-1-carbonyl]-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;(5S)-1,2,2,5-tetramethylpiperazine is sourced from PubChem (CID 158089773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).