tert-butyl 3-[(2-ethenyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;5-O-tert-butyl 1-O-ethyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;[3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]methanone;2-methylbutan-2-yl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;(2R,5S)-1,2,5-trimethylpiperazine

C130H186BCl3F6N40O18 — CID 158058774

About tert-butyl 3-[(2-ethenyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;5-O-tert-butyl 1-O-ethyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;[3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]methanone;2-methylbutan-2-yl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;(2R,5S)-1,2,5-trimethylpiperazine

tert-butyl 3-[(2-ethenyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;5-O-tert-butyl 1-O-ethyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;[3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]methanone;2-methylbutan-2-yl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;(2R,5S)-1,2,5-trimethylpiperazine (PubChem CID 158058774) has the molecular formula C130H186BCl3F6N40O18 and a molecular weight of 2828.34 g/mol. Its IUPAC name is tert-butyl 3-[(2-ethenyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;5-O-tert-butyl 1-O-ethyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;[3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]methanone;2-methylbutan-2-yl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;(2R,5S)-1,2,5-trimethylpiperazine.

Molecular Properties

• Compound Name: tert-butyl 3-[(2-ethenyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;5-O-tert-butyl 1-O-ethyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;[3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]methanone;2-methylbutan-2-yl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;(2R,5S)-1,2,5-trimethylpiperazine
• PubChem CID: 158058774
• Molecular Formula: C130H186BCl3F6N40O18
• Molecular Weight: 2828.34 g/mol
• Exact Mass: 2825.39
• IUPAC Name: tert-butyl 3-[(2-ethenyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;5-O-tert-butyl 1-O-ethyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;[3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]methanone;2-methylbutan-2-yl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;(2R,5S)-1,2,5-trimethylpiperazine
• SMILES: C=CB1OC(C)(C)C(C)(C)O1.C=Cc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)n1.CCC(C)(C)OC(=O)N1Cc2c(Nc3nc(Cl)ncc3F)n[nH]c2C1(C)C.CCOC(=O)Cl.CCOC(=O)n1nc(Nc2nc(CC)ncc2F)c2c1C(C)(C)N(C(=O)Cl)C2.CCOC(=O)n1nc(Nc2nc(CC)ncc2F)c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2.CCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)C3(C)C)n1.CCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)n1.C[C@@H]1CN[C@@H](C)CN1C
• InChI: InChI=1S/C21H31FN8O.C21H29FN6O4.C18H25FN6O2.C18H23FN6O2.C17H20ClFN6O3.C17H22ClFN6O2.C8H15BO2.C7H16N2.C3H5ClO2/c1-7-16-23-8-15(22)19(24-16)25-18-14-11-30(21(4,5)17(14)26-27-18)20(31)29-10-12(2)28(6)9-13(29)3;1-8-14-23-10-13(22)17(24-14)25-16-12-11-27(18(29)32-20(3,4)5)21(6,7)15(12)28(26-16)19(30)31-9-2;2*1-7-12-20-8-11(19)15(21-12)22-14-10-9-25(16(26)27-17(2,3)4)18(5,6)13(10)23-24-14;1-5-11-20-7-10(19)14(21-11)22-13-9-8-24(15(18)26)17(3,4)12(9)25(23-13)16(27)28-6-2;1-6-16(2,3)27-15(26)25-8-9-11(17(25,4)5)23-24-12(9)21-13-10(19)7-20-14(18)22-13;1-6-9-10-7(2,3)8(4,5)11-9;1-6-5-9(3)7(2)4-8-6;1-2-6-3(4)5/h8,12-13H,7,9-11H2,1-6H3,(H2,23,24,25,26,27);10H,8-9,11H2,1-7H3,(H,23,24,25,26);8H,7,9H2,1-6H3,(H2,20,21,22,23,24);7-8H,1,9H2,2-6H3,(H2,20,21,22,23,24);7H,5-6,8H2,1-4H3,(H,20,21,22,23);7H,6,8H2,1-5H3,(H2,20,21,22,23,24);6H,1H2,2-5H3;6-8H,4-5H2,1-3H3;2H2,1H3/t12-,13+;;;;;;;6-,7+;/m1......0./s1
• InChIKey: FKJSTKKIXMWOFX-YNYRDJGXSA-N
• XLogP: 25.42
• TPSA: 655.11 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 47
• Rotatable Bonds: 23
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2828.34
LogP ≤ 5	25.42
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	47

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[(2-ethenyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;5-O-tert-butyl 1-O-ethyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;[3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]methanone;2-methylbutan-2-yl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;(2R,5S)-1,2,5-trimethylpiperazine?

The IUPAC name of tert-butyl 3-[(2-ethenyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;5-O-tert-butyl 1-O-ethyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;[3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]methanone;2-methylbutan-2-yl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;(2R,5S)-1,2,5-trimethylpiperazine (CID 158058774) is tert-butyl 3-[(2-ethenyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;5-O-tert-butyl 1-O-ethyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;[3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]methanone;2-methylbutan-2-yl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;(2R,5S)-1,2,5-trimethylpiperazine.

What is the SMILES notation for tert-butyl 3-[(2-ethenyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;5-O-tert-butyl 1-O-ethyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;[3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]methanone;2-methylbutan-2-yl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;(2R,5S)-1,2,5-trimethylpiperazine?

The canonical SMILES for tert-butyl 3-[(2-ethenyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;5-O-tert-butyl 1-O-ethyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;[3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]methanone;2-methylbutan-2-yl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;(2R,5S)-1,2,5-trimethylpiperazine is C=CB1OC(C)(C)C(C)(C)O1.C=Cc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)n1.CCC(C)(C)OC(=O)N1Cc2c(Nc3nc(Cl)ncc3F)n[nH]c2C1(C)C.CCOC(=O)Cl.CCOC(=O)n1nc(Nc2nc(CC)ncc2F)c2c1C(C)(C)N(C(=O)Cl)C2.CCOC(=O)n1nc(Nc2nc(CC)ncc2F)c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2.CCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)N2C[C@@H](C)N(C)C[C@@H]2C)C3(C)C)n1.CCc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)n1.C[C@@H]1CN[C@@H](C)CN1C.

What is the InChIKey of tert-butyl 3-[(2-ethenyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;5-O-tert-butyl 1-O-ethyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;[3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]methanone;2-methylbutan-2-yl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;(2R,5S)-1,2,5-trimethylpiperazine?

The InChIKey is FKJSTKKIXMWOFX-YNYRDJGXSA-N. The full InChI is InChI=1S/C21H31FN8O.C21H29FN6O4.C18H25FN6O2.C18H23FN6O2.C17H20ClFN6O3.C17H22ClFN6O2.C8H15BO2.C7H16N2.C3H5ClO2/c1-7-16-23-8-15(22)19(24-16)25-18-14-11-30(21(4,5)17(14)26-27-18)20(31)29-10-12(2)28(6)9-13(29)3;1-8-14-23-10-13(22)17(24-14)25-16-12-11-27(18(29)32-20(3,4)5)21(6,7)15(12)28(26-16)19(30)31-9-2;2*1-7-12-20-8-11(19)15(21-12)22-14-10-9-25(16(26)27-17(2,3)4)18(5,6)13(10)23-24-14;1-5-11-20-7-10(19)14(21-11)22-13-9-8-24(15(18)26)17(3,4)12(9)25(23-13)16(27)28-6-2;1-6-16(2,3)27-15(26)25-8-9-11(17(25,4)5)23-24-12(9)21-13-10(19)7-20-14(18)22-13;1-6-9-10-7(2,3)8(4,5)11-9;1-6-5-9(3)7(2)4-8-6;1-2-6-3(4)5/h8,12-13H,7,9-11H2,1-6H3,(H2,23,24,25,26,27);10H,8-9,11H2,1-7H3,(H,23,24,25,26);8H,7,9H2,1-6H3,(H2,20,21,22,23,24);7-8H,1,9H2,2-6H3,(H2,20,21,22,23,24);7H,5-6,8H2,1-4H3,(H,20,21,22,23);7H,6,8H2,1-5H3,(H2,20,21,22,23,24);6H,1H2,2-5H3;6-8H,4-5H2,1-3H3;2H2,1H3/t12-,13+;;;;;;;6-,7+;/m1......0./s1.

What are the key properties of tert-butyl 3-[(2-ethenyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;5-O-tert-butyl 1-O-ethyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;[3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]methanone;2-methylbutan-2-yl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;(2R,5S)-1,2,5-trimethylpiperazine?

tert-butyl 3-[(2-ethenyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;5-O-tert-butyl 1-O-ethyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;[3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]methanone;2-methylbutan-2-yl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;(2R,5S)-1,2,5-trimethylpiperazine has a molecular weight of 2828.34 g/mol, XLogP of 25.42, 23 rotatable bonds, 11 hydrogen bond donors, and 47 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 3-[(2-ethenyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;5-O-tert-butyl 1-O-ethyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;2-ethenyl-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate;[3-[(2-ethyl-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazol-5-yl]-[(2S,5R)-2,4,5-trimethylpiperazin-1-yl]methanone;2-methylbutan-2-yl 3-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;(2R,5S)-1,2,5-trimethylpiperazine is sourced from PubChem (CID 158058774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).