tert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[(2-chloro-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-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[[2-(ethylamino)-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-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate

C106H147Cl5F5N37O19 — CID 159054661

IUPACtert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[(2-chloro-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-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[[2-(ethylamino)-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-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2c(N)n[nH]c2C1(C)C.CC(C)(C)OC(=O)N1Cc2c(Nc3nc(Cl)ncc3F)n[nH]c2C1(C)C.CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)n1.CCNc1ncc(F)c(Nc2nn(C(=O)OCC)c3c2CN(C(=O)Cl)C3(C)C)n1.CCNc1ncc(F)c(Nc2nn(C(=O)OCC)c3c2CN(C(=O)OC(C)(C)C)C3(C)C)n1.CCOC(=O)Cl.CCOC(=O)n1nc(N)c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2.Fc1cnc(Cl)nc1Cl
InChIInChI=1S/C21H30FN7O4.C18H26FN7O2.C17H21ClFN7O3.C16H20ClFN6O2.C15H24N4O4.C12H20N4O2.C4HCl2FN2.C3H5ClO2/c1-8-23-17-24-10-13(22)16(26-17)25-15-12-11-28(18(30)33-20(3,4)5)21(6,7)14(12)29(27-15)19(31)32-9-2;1-7-20-15-21-8-11(19)14(23-15)22-13-10-9-26(16(27)28-17(2,3)4)18(5,6)12(10)24-25-13;1-5-20-15-21-7-10(19)13(23-15)22-12-9-8-25(14(18)27)17(3,4)11(9)26(24-12)16(28)29-6-2;1-15(2,3)26-14(25)24-7-8-10(16(24,4)5)22-23-11(8)20-12-9(18)6-19-13(17)21-12;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;1-11(2,3)18-10(17)16-6-7-8(12(16,4)5)14-15-9(7)13;5-3-2(7)1-8-4(6)9-3;1-2-6-3(4)5/h10H,8-9,11H2,1-7H3,(H2,23,24,25,26,27);8H,7,9H2,1-6H3,(H3,20,21,22,23,24,25);7H,5-6,8H2,1-4H3,(H2,20,21,22,23,24);6H,7H2,1-5H3,(H2,19,20,21,22,23);7-8H2,1-6H3,(H2,16,17);6H2,1-5H3,(H3,13,14,15);1H;2H2,1H3
InChIKeyJXRZAAUMXJDBBQ-UHFFFAOYSA-N
MW2515.84 g/mol
LogP22.34
Rot. Bonds18

About tert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[(2-chloro-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-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[[2-(ethylamino)-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-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate

tert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[(2-chloro-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-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[[2-(ethylamino)-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-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate (PubChem CID 159054661) has the molecular formula C106H147Cl5F5N37O19 and a molecular weight of 2515.84 g/mol. Its IUPAC name is tert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[(2-chloro-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-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[[2-(ethylamino)-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-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[(2-chloro-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-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[[2-(ethylamino)-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-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate
PubChem CID159054661
Molecular FormulaC106H147Cl5F5N37O19
Molecular Weight2515.84 g/mol
Exact Mass2512.00
IUPAC Nametert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[(2-chloro-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-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[[2-(ethylamino)-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-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate
SMILESCC(C)(C)OC(=O)N1Cc2c(N)n[nH]c2C1(C)C.CC(C)(C)OC(=O)N1Cc2c(Nc3nc(Cl)ncc3F)n[nH]c2C1(C)C.CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)n1.CCNc1ncc(F)c(Nc2nn(C(=O)OCC)c3c2CN(C(=O)Cl)C3(C)C)n1.CCNc1ncc(F)c(Nc2nn(C(=O)OCC)c3c2CN(C(=O)OC(C)(C)C)C3(C)C)n1.CCOC(=O)Cl.CCOC(=O)n1nc(N)c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2.Fc1cnc(Cl)nc1Cl
InChIInChI=1S/C21H30FN7O4.C18H26FN7O2.C17H21ClFN7O3.C16H20ClFN6O2.C15H24N4O4.C12H20N4O2.C4HCl2FN2.C3H5ClO2/c1-8-23-17-24-10-13(22)16(26-17)25-15-12-11-28(18(30)33-20(3,4)5)21(6,7)14(12)29(27-15)19(31)32-9-2;1-7-20-15-21-8-11(19)14(23-15)22-13-10-9-26(16(27)28-17(2,3)4)18(5,6)12(10)24-25-13;1-5-20-15-21-7-10(19)13(23-15)22-12-9-8-25(14(18)27)17(3,4)11(9)26(24-12)16(28)29-6-2;1-15(2,3)26-14(25)24-7-8-10(16(24,4)5)22-23-11(8)20-12-9(18)6-19-13(17)21-12;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;1-11(2,3)18-10(17)16-6-7-8(12(16,4)5)14-15-9(7)13;5-3-2(7)1-8-4(6)9-3;1-2-6-3(4)5/h10H,8-9,11H2,1-7H3,(H2,23,24,25,26,27);8H,7,9H2,1-6H3,(H3,20,21,22,23,24,25);7H,5-6,8H2,1-4H3,(H2,20,21,22,23,24);6H,7H2,1-5H3,(H2,19,20,21,22,23);7-8H2,1-6H3,(H2,16,17);6H2,1-5H3,(H3,13,14,15);1H;2H2,1H3
InChIKeyJXRZAAUMXJDBBQ-UHFFFAOYSA-N
XLogP22.34
TPSA677.86 Ų
H-Bond Donors12
H-Bond Acceptors47
Rotatable Bonds18
Heavy Atoms172
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002515.84
LogP ≤ 522.34
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1047

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'}

Analyze tert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[(2-chloro-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-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[[2-(ethylamino)-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-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[(2-chloro-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-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[[2-(ethylamino)-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-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate?
The IUPAC name of tert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[(2-chloro-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-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[[2-(ethylamino)-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-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate (CID 159054661) is tert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[(2-chloro-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-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[[2-(ethylamino)-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-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate.
What is the SMILES notation for tert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[(2-chloro-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-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[[2-(ethylamino)-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-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate?
The canonical SMILES for tert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[(2-chloro-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-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[[2-(ethylamino)-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-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate is CC(C)(C)OC(=O)N1Cc2c(N)n[nH]c2C1(C)C.CC(C)(C)OC(=O)N1Cc2c(Nc3nc(Cl)ncc3F)n[nH]c2C1(C)C.CCNc1ncc(F)c(Nc2n[nH]c3c2CN(C(=O)OC(C)(C)C)C3(C)C)n1.CCNc1ncc(F)c(Nc2nn(C(=O)OCC)c3c2CN(C(=O)Cl)C3(C)C)n1.CCNc1ncc(F)c(Nc2nn(C(=O)OCC)c3c2CN(C(=O)OC(C)(C)C)C3(C)C)n1.CCOC(=O)Cl.CCOC(=O)n1nc(N)c2c1C(C)(C)N(C(=O)OC(C)(C)C)C2.Fc1cnc(Cl)nc1Cl.
What is the InChIKey of tert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[(2-chloro-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-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[[2-(ethylamino)-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-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate?
The InChIKey is JXRZAAUMXJDBBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30FN7O4.C18H26FN7O2.C17H21ClFN7O3.C16H20ClFN6O2.C15H24N4O4.C12H20N4O2.C4HCl2FN2.C3H5ClO2/c1-8-23-17-24-10-13(22)16(26-17)25-15-12-11-28(18(30)33-20(3,4)5)21(6,7)14(12)29(27-15)19(31)32-9-2;1-7-20-15-21-8-11(19)14(23-15)22-13-10-9-26(16(27)28-17(2,3)4)18(5,6)12(10)24-25-13;1-5-20-15-21-7-10(19)13(23-15)22-12-9-8-25(14(18)27)17(3,4)11(9)26(24-12)16(28)29-6-2;1-15(2,3)26-14(25)24-7-8-10(16(24,4)5)22-23-11(8)20-12-9(18)6-19-13(17)21-12;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;1-11(2,3)18-10(17)16-6-7-8(12(16,4)5)14-15-9(7)13;5-3-2(7)1-8-4(6)9-3;1-2-6-3(4)5/h10H,8-9,11H2,1-7H3,(H2,23,24,25,26,27);8H,7,9H2,1-6H3,(H3,20,21,22,23,24,25);7H,5-6,8H2,1-4H3,(H2,20,21,22,23,24);6H,7H2,1-5H3,(H2,19,20,21,22,23);7-8H2,1-6H3,(H2,16,17);6H2,1-5H3,(H3,13,14,15);1H;2H2,1H3.
What are the key properties of tert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[(2-chloro-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-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[[2-(ethylamino)-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-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate?
tert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[(2-chloro-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-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[[2-(ethylamino)-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-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate has a molecular weight of 2515.84 g/mol, XLogP of 22.34, 18 rotatable bonds, 12 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-amino-6,6-dimethyl-1,4-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 3-[(2-chloro-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-amino-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;tert-butyl 3-[[2-(ethylamino)-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-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1,5-dicarboxylate;2,4-dichloro-5-fluoropyrimidine;ethyl carbonochloridate;ethyl 5-carbonochloridoyl-3-[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]-6,6-dimethyl-4H-pyrrolo[3,4-d]pyrazole-1-carboxylate is sourced from PubChem (CID 159054661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).