2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;deuterio(fluoro)methane;diphenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]propanedioate;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;methanol;2,2,2-trifluoro-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone

C152H157F12N37O23 — CID 162003137

IUPAC2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;deuterio(fluoro)methane;diphenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]propanedioate;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;methanol;2,2,2-trifluoro-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone
SMILESCC(C)(C)OC(=O)N1Cc2cn[nH]c2C1.CO.Cn1cc2c(n1)CN(C(=O)C(F)(F)F)C2.Cn1cc2c(n1)CN(C(=O)Cc1nc(-c3ccc(F)cc3)ccc1N)C2.Cn1cc2c(n1)CN(C(=O)Cc1nc(-c3ccc(F)cc3)ccc1[N+](=O)[O-])C2.Cn1cc2c(n1)CN(C(=O)OC(C)(C)C)C2.Cn1ncc2c1CN(C(=O)C(F)(F)F)C2.Cn1ncc2c1CN(C(=O)Cc1nc(-c3ccc(F)cc3)ccc1N)C2.Cn1ncc2c1CN(C(=O)Cc1nc(-c3ccc(F)cc3)ccc1[N+](=O)[O-])C2.Cn1ncc2c1CN(C(=O)OC(C)(C)C)C2.O=C(Oc1ccccc1)C(C(=O)Oc1ccccc1)c1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-].[2H]CF
InChIInChI=1S/C26H17FN2O6.2C19H16FN5O3.2C19H18FN5O.2C11H17N3O2.C10H15N3O2.2C8H8F3N3O.CH3F.CH4O/c27-18-13-11-17(12-14-18)21-15-16-22(29(32)33)24(28-21)23(25(30)34-19-7-3-1-4-8-19)26(31)35-20-9-5-2-6-10-20;1-23-9-13-10-24(11-17(13)22-23)19(26)8-16-18(25(27)28)7-6-15(21-16)12-2-4-14(20)5-3-12;1-23-18-11-24(10-13(18)9-21-23)19(26)8-16-17(25(27)28)7-6-15(22-16)12-2-4-14(20)5-3-12;1-24-9-13-10-25(11-18(13)23-24)19(26)8-17-15(21)6-7-16(22-17)12-2-4-14(20)5-3-12;1-24-18-11-25(10-13(18)9-22-24)19(26)8-17-15(21)6-7-16(23-17)12-2-4-14(20)5-3-12;1-11(2,3)16-10(15)14-6-8-5-13(4)12-9(8)7-14;1-11(2,3)16-10(15)14-6-8-5-12-13(4)9(8)7-14;1-10(2,3)15-9(14)13-5-7-4-11-12-8(7)6-13;1-13-2-5-3-14(4-6(5)12-13)7(15)8(9,10)11;1-13-6-4-14(3-5(6)2-12-13)7(15)8(9,10)11;2*1-2/h1-16,23H;2*2-7,9H,8,10-11H2,1H3;2*2-7,9H,8,10-11,21H2,1H3;2*5H,6-7H2,1-4H3;4H,5-6H2,1-3H3,(H,11,12);2*2H,3-4H2,1H3;1H3;2H,1H3/i;;;;;;;;;;1D;
InChIKeyYSMDXJQJCZMLEF-FCNCMWQDSA-N
MW3099.15 g/mol
LogP21.74
Rot. Bonds21

About 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;deuterio(fluoro)methane;diphenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]propanedioate;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;methanol;2,2,2-trifluoro-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone

2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;deuterio(fluoro)methane;diphenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]propanedioate;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;methanol;2,2,2-trifluoro-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone (PubChem CID 162003137) has the molecular formula C152H157F12N37O23 and a molecular weight of 3099.15 g/mol. Its IUPAC name is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;deuterio(fluoro)methane;diphenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]propanedioate;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;methanol;2,2,2-trifluoro-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone.

Molecular Properties

Compound Name2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;deuterio(fluoro)methane;diphenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]propanedioate;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;methanol;2,2,2-trifluoro-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone
PubChem CID162003137
Molecular FormulaC152H157F12N37O23
Molecular Weight3099.15 g/mol
Exact Mass3097.21
IUPAC Name2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;deuterio(fluoro)methane;diphenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]propanedioate;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;methanol;2,2,2-trifluoro-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone
SMILESCC(C)(C)OC(=O)N1Cc2cn[nH]c2C1.CO.Cn1cc2c(n1)CN(C(=O)C(F)(F)F)C2.Cn1cc2c(n1)CN(C(=O)Cc1nc(-c3ccc(F)cc3)ccc1N)C2.Cn1cc2c(n1)CN(C(=O)Cc1nc(-c3ccc(F)cc3)ccc1[N+](=O)[O-])C2.Cn1cc2c(n1)CN(C(=O)OC(C)(C)C)C2.Cn1ncc2c1CN(C(=O)C(F)(F)F)C2.Cn1ncc2c1CN(C(=O)Cc1nc(-c3ccc(F)cc3)ccc1N)C2.Cn1ncc2c1CN(C(=O)Cc1nc(-c3ccc(F)cc3)ccc1[N+](=O)[O-])C2.Cn1ncc2c1CN(C(=O)OC(C)(C)C)C2.O=C(Oc1ccccc1)C(C(=O)Oc1ccccc1)c1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-].[2H]CF
InChIInChI=1S/C26H17FN2O6.2C19H16FN5O3.2C19H18FN5O.2C11H17N3O2.C10H15N3O2.2C8H8F3N3O.CH3F.CH4O/c27-18-13-11-17(12-14-18)21-15-16-22(29(32)33)24(28-21)23(25(30)34-19-7-3-1-4-8-19)26(31)35-20-9-5-2-6-10-20;1-23-9-13-10-24(11-17(13)22-23)19(26)8-16-18(25(27)28)7-6-15(21-16)12-2-4-14(20)5-3-12;1-23-18-11-24(10-13(18)9-21-23)19(26)8-16-17(25(27)28)7-6-15(22-16)12-2-4-14(20)5-3-12;1-24-9-13-10-25(11-18(13)23-24)19(26)8-17-15(21)6-7-16(22-17)12-2-4-14(20)5-3-12;1-24-18-11-25(10-13(18)9-22-24)19(26)8-17-15(21)6-7-16(23-17)12-2-4-14(20)5-3-12;1-11(2,3)16-10(15)14-6-8-5-13(4)12-9(8)7-14;1-11(2,3)16-10(15)14-6-8-5-12-13(4)9(8)7-14;1-10(2,3)15-9(14)13-5-7-4-11-12-8(7)6-13;1-13-2-5-3-14(4-6(5)12-13)7(15)8(9,10)11;1-13-6-4-14(3-5(6)2-12-13)7(15)8(9,10)11;2*1-2/h1-16,23H;2*2-7,9H,8,10-11H2,1H3;2*2-7,9H,8,10-11,21H2,1H3;2*5H,6-7H2,1-4H3;4H,5-6H2,1-3H3,(H,11,12);2*2H,3-4H2,1H3;1H3;2H,1H3/i;;;;;;;;;;1D;
InChIKeyYSMDXJQJCZMLEF-FCNCMWQDSA-N
XLogP21.74
TPSA700.46 Ų
H-Bond Donors4
H-Bond Acceptors47
Rotatable Bonds21
Heavy Atoms224
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003099.15
LogP ≤ 521.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1047

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;deuterio(fluoro)methane;diphenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]propanedioate;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;methanol;2,2,2-trifluoro-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;deuterio(fluoro)methane;diphenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]propanedioate;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;methanol;2,2,2-trifluoro-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone?
The IUPAC name of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;deuterio(fluoro)methane;diphenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]propanedioate;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;methanol;2,2,2-trifluoro-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone (CID 162003137) is 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;deuterio(fluoro)methane;diphenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]propanedioate;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;methanol;2,2,2-trifluoro-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone.
What is the SMILES notation for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;deuterio(fluoro)methane;diphenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]propanedioate;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;methanol;2,2,2-trifluoro-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone?
The canonical SMILES for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;deuterio(fluoro)methane;diphenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]propanedioate;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;methanol;2,2,2-trifluoro-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone is CC(C)(C)OC(=O)N1Cc2cn[nH]c2C1.CO.Cn1cc2c(n1)CN(C(=O)C(F)(F)F)C2.Cn1cc2c(n1)CN(C(=O)Cc1nc(-c3ccc(F)cc3)ccc1N)C2.Cn1cc2c(n1)CN(C(=O)Cc1nc(-c3ccc(F)cc3)ccc1[N+](=O)[O-])C2.Cn1cc2c(n1)CN(C(=O)OC(C)(C)C)C2.Cn1ncc2c1CN(C(=O)C(F)(F)F)C2.Cn1ncc2c1CN(C(=O)Cc1nc(-c3ccc(F)cc3)ccc1N)C2.Cn1ncc2c1CN(C(=O)Cc1nc(-c3ccc(F)cc3)ccc1[N+](=O)[O-])C2.Cn1ncc2c1CN(C(=O)OC(C)(C)C)C2.O=C(Oc1ccccc1)C(C(=O)Oc1ccccc1)c1nc(-c2ccc(F)cc2)ccc1[N+](=O)[O-].[2H]CF.
What is the InChIKey of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;deuterio(fluoro)methane;diphenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]propanedioate;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;methanol;2,2,2-trifluoro-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone?
The InChIKey is YSMDXJQJCZMLEF-FCNCMWQDSA-N. The full InChI is InChI=1S/C26H17FN2O6.2C19H16FN5O3.2C19H18FN5O.2C11H17N3O2.C10H15N3O2.2C8H8F3N3O.CH3F.CH4O/c27-18-13-11-17(12-14-18)21-15-16-22(29(32)33)24(28-21)23(25(30)34-19-7-3-1-4-8-19)26(31)35-20-9-5-2-6-10-20;1-23-9-13-10-24(11-17(13)22-23)19(26)8-16-18(25(27)28)7-6-15(21-16)12-2-4-14(20)5-3-12;1-23-18-11-24(10-13(18)9-21-23)19(26)8-16-17(25(27)28)7-6-15(22-16)12-2-4-14(20)5-3-12;1-24-9-13-10-25(11-18(13)23-24)19(26)8-17-15(21)6-7-16(22-17)12-2-4-14(20)5-3-12;1-24-18-11-25(10-13(18)9-22-24)19(26)8-17-15(21)6-7-16(23-17)12-2-4-14(20)5-3-12;1-11(2,3)16-10(15)14-6-8-5-13(4)12-9(8)7-14;1-11(2,3)16-10(15)14-6-8-5-12-13(4)9(8)7-14;1-10(2,3)15-9(14)13-5-7-4-11-12-8(7)6-13;1-13-2-5-3-14(4-6(5)12-13)7(15)8(9,10)11;1-13-6-4-14(3-5(6)2-12-13)7(15)8(9,10)11;2*1-2/h1-16,23H;2*2-7,9H,8,10-11H2,1H3;2*2-7,9H,8,10-11,21H2,1H3;2*5H,6-7H2,1-4H3;4H,5-6H2,1-3H3,(H,11,12);2*2H,3-4H2,1H3;1H3;2H,1H3/i;;;;;;;;;;1D;.
What are the key properties of 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;deuterio(fluoro)methane;diphenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]propanedioate;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;methanol;2,2,2-trifluoro-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone?
2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;deuterio(fluoro)methane;diphenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]propanedioate;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;methanol;2,2,2-trifluoro-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone has a molecular weight of 3099.15 g/mol, XLogP of 21.74, 21 rotatable bonds, 4 hydrogen bond donors, and 47 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[3-amino-6-(4-fluorophenyl)-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;tert-butyl 4,6-dihydro-1H-pyrrolo[3,4-d]pyrazole-5-carboxylate;tert-butyl 2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazole-5-carboxylate;tert-butyl 1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazole-5-carboxylate;deuterio(fluoro)methane;diphenyl 2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]propanedioate;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-[6-(4-fluorophenyl)-3-nitro-2-pyridinyl]-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone;methanol;2,2,2-trifluoro-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2,2,2-trifluoro-1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)ethanone is sourced from PubChem (CID 162003137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).