2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-(3-amino-6-pyridin-3-yl-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;iodomethane;2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate

C143H156IN41O20 — CID 161220368

IUPAC2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-(3-amino-6-pyridin-3-yl-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;iodomethane;2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate
SMILESCC(C)(C)OC(=O)N1Cc2cn[nH]c2C1.CI.Cn1cc2c(n1)CCC2.Cn1cc2c(n1)CN(C(=O)Cc1nc(-c3cccnc3)ccc1N)C2.Cn1cc2c(n1)CN(C(=O)Cc1nc(-c3cccnc3)ccc1[N+](=O)[O-])C2.Cn1cc2c(n1)CN(C(=O)OC(C)(C)C)C2.Cn1ncc2c1CCC2.Cn1ncc2c1CN(C(=O)Cc1nc(-c3cccnc3)ccc1N)C2.Cn1ncc2c1CN(C(=O)Cc1nc(-c3cccnc3)ccc1[N+](=O)[O-])C2.Cn1ncc2c1CN(C(=O)OC(C)(C)C)C2.O=C(Oc1ccccc1)N(C(=O)Oc1ccccc1)c1nc(-c2cccnc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C24H16N4O6.2C18H16N6O3.2C18H18N6O.2C11H17N3O2.C10H15N3O2.2C7H10N2.CH3I/c29-23(33-18-9-3-1-4-10-18)27(24(30)34-19-11-5-2-6-12-19)22-21(28(31)32)14-13-20(26-22)17-8-7-15-25-16-17;1-22-9-13-10-23(11-16(13)21-22)18(25)7-15-17(24(26)27)5-4-14(20-15)12-3-2-6-19-8-12;1-22-17-11-23(10-13(17)9-20-22)18(25)7-15-16(24(26)27)5-4-14(21-15)12-3-2-6-19-8-12;1-23-9-13-10-24(11-17(13)22-23)18(25)7-16-14(19)4-5-15(21-16)12-3-2-6-20-8-12;1-23-17-11-24(10-13(17)9-21-23)18(25)7-16-14(19)4-5-15(22-16)12-3-2-6-20-8-12;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;1-9-5-6-3-2-4-7(6)8-9;1-9-7-4-2-3-6(7)5-8-9;1-2/h1-16H;2*2-6,8-9H,7,10-11H2,1H3;2*2-6,8-9H,7,10-11,19H2,1H3;2*5H,6-7H2,1-4H3;4H,5-6H2,1-3H3,(H,11,12);2*5H,2-4H2,1H3;1H3
InChIKeyUXKOFJLWNQHBFN-UHFFFAOYSA-N
MW2895.99 g/mol
LogP19.96
Rot. Bonds19

About 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-(3-amino-6-pyridin-3-yl-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;iodomethane;2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate

2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-(3-amino-6-pyridin-3-yl-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;iodomethane;2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate (PubChem CID 161220368) has the molecular formula C143H156IN41O20 and a molecular weight of 2895.99 g/mol. Its IUPAC name is 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-(3-amino-6-pyridin-3-yl-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;iodomethane;2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate.

Molecular Properties

Compound Name2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-(3-amino-6-pyridin-3-yl-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;iodomethane;2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate
PubChem CID161220368
Molecular FormulaC143H156IN41O20
Molecular Weight2895.99 g/mol
Exact Mass2894.15
IUPAC Name2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-(3-amino-6-pyridin-3-yl-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;iodomethane;2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate
SMILESCC(C)(C)OC(=O)N1Cc2cn[nH]c2C1.CI.Cn1cc2c(n1)CCC2.Cn1cc2c(n1)CN(C(=O)Cc1nc(-c3cccnc3)ccc1N)C2.Cn1cc2c(n1)CN(C(=O)Cc1nc(-c3cccnc3)ccc1[N+](=O)[O-])C2.Cn1cc2c(n1)CN(C(=O)OC(C)(C)C)C2.Cn1ncc2c1CCC2.Cn1ncc2c1CN(C(=O)Cc1nc(-c3cccnc3)ccc1N)C2.Cn1ncc2c1CN(C(=O)Cc1nc(-c3cccnc3)ccc1[N+](=O)[O-])C2.Cn1ncc2c1CN(C(=O)OC(C)(C)C)C2.O=C(Oc1ccccc1)N(C(=O)Oc1ccccc1)c1nc(-c2cccnc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C24H16N4O6.2C18H16N6O3.2C18H18N6O.2C11H17N3O2.C10H15N3O2.2C7H10N2.CH3I/c29-23(33-18-9-3-1-4-10-18)27(24(30)34-19-11-5-2-6-12-19)22-21(28(31)32)14-13-20(26-22)17-8-7-15-25-16-17;1-22-9-13-10-23(11-16(13)21-22)18(25)7-15-17(24(26)27)5-4-14(20-15)12-3-2-6-19-8-12;1-22-17-11-23(10-13(17)9-20-22)18(25)7-15-16(24(26)27)5-4-14(21-15)12-3-2-6-19-8-12;1-23-9-13-10-24(11-17(13)22-23)18(25)7-16-14(19)4-5-15(21-16)12-3-2-6-20-8-12;1-23-17-11-24(10-13(17)9-21-23)18(25)7-16-14(19)4-5-15(22-16)12-3-2-6-20-8-12;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;1-9-5-6-3-2-4-7(6)8-9;1-9-7-4-2-3-6(7)5-8-9;1-2/h1-16H;2*2-6,8-9H,7,10-11H2,1H3;2*2-6,8-9H,7,10-11,19H2,1H3;2*5H,6-7H2,1-4H3;4H,5-6H2,1-3H3,(H,11,12);2*5H,2-4H2,1H3;1H3
InChIKeyUXKOFJLWNQHBFN-UHFFFAOYSA-N
XLogP19.96
TPSA707.30 Ų
H-Bond Donors3
H-Bond Acceptors49
Rotatable Bonds19
Heavy Atoms205
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002895.99
LogP ≤ 519.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1049

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-(3-amino-6-pyridin-3-yl-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;iodomethane;2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-(3-amino-6-pyridin-3-yl-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;iodomethane;2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate?
The IUPAC name of 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-(3-amino-6-pyridin-3-yl-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;iodomethane;2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate (CID 161220368) is 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-(3-amino-6-pyridin-3-yl-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;iodomethane;2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate.
What is the SMILES notation for 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-(3-amino-6-pyridin-3-yl-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;iodomethane;2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate?
The canonical SMILES for 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-(3-amino-6-pyridin-3-yl-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;iodomethane;2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate is CC(C)(C)OC(=O)N1Cc2cn[nH]c2C1.CI.Cn1cc2c(n1)CCC2.Cn1cc2c(n1)CN(C(=O)Cc1nc(-c3cccnc3)ccc1N)C2.Cn1cc2c(n1)CN(C(=O)Cc1nc(-c3cccnc3)ccc1[N+](=O)[O-])C2.Cn1cc2c(n1)CN(C(=O)OC(C)(C)C)C2.Cn1ncc2c1CCC2.Cn1ncc2c1CN(C(=O)Cc1nc(-c3cccnc3)ccc1N)C2.Cn1ncc2c1CN(C(=O)Cc1nc(-c3cccnc3)ccc1[N+](=O)[O-])C2.Cn1ncc2c1CN(C(=O)OC(C)(C)C)C2.O=C(Oc1ccccc1)N(C(=O)Oc1ccccc1)c1nc(-c2cccnc2)ccc1[N+](=O)[O-].
What is the InChIKey of 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-(3-amino-6-pyridin-3-yl-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;iodomethane;2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate?
The InChIKey is UXKOFJLWNQHBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16N4O6.2C18H16N6O3.2C18H18N6O.2C11H17N3O2.C10H15N3O2.2C7H10N2.CH3I/c29-23(33-18-9-3-1-4-10-18)27(24(30)34-19-11-5-2-6-12-19)22-21(28(31)32)14-13-20(26-22)17-8-7-15-25-16-17;1-22-9-13-10-23(11-16(13)21-22)18(25)7-15-17(24(26)27)5-4-14(20-15)12-3-2-6-19-8-12;1-22-17-11-23(10-13(17)9-20-22)18(25)7-15-16(24(26)27)5-4-14(21-15)12-3-2-6-19-8-12;1-23-9-13-10-24(11-17(13)22-23)18(25)7-16-14(19)4-5-15(21-16)12-3-2-6-20-8-12;1-23-17-11-24(10-13(17)9-21-23)18(25)7-16-14(19)4-5-15(22-16)12-3-2-6-20-8-12;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;1-9-5-6-3-2-4-7(6)8-9;1-9-7-4-2-3-6(7)5-8-9;1-2/h1-16H;2*2-6,8-9H,7,10-11H2,1H3;2*2-6,8-9H,7,10-11,19H2,1H3;2*5H,6-7H2,1-4H3;4H,5-6H2,1-3H3,(H,11,12);2*5H,2-4H2,1H3;1H3.
What are the key properties of 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-(3-amino-6-pyridin-3-yl-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;iodomethane;2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate?
2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-(3-amino-6-pyridin-3-yl-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;iodomethane;2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate has a molecular weight of 2895.99 g/mol, XLogP of 19.96, 19 rotatable bonds, 3 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-6-pyridin-3-yl-2-pyridinyl)-1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)ethanone;2-(3-amino-6-pyridin-3-yl-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;iodomethane;2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazole;1-methyl-5,6-dihydro-4H-cyclopenta[d]pyrazole;1-(2-methyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;1-(1-methyl-4,6-dihydropyrrolo[3,4-d]pyrazol-5-yl)-2-(3-nitro-6-pyridin-3-yl-2-pyridinyl)ethanone;phenyl N-(3-nitro-6-pyridin-3-yl-2-pyridinyl)-N-phenoxycarbonylcarbamate is sourced from PubChem (CID 161220368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).