2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;tert-butyl 2-chloro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;6-O-tert-butyl 2-O-ethyl 5,7-dihydropyrrolo[3,4-b]pyridine-2,6-dicarboxylate;tert-butyl 2-(hydroxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;methane;oxolane;phenyl N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]carbamate;2,2,2-trifluoro-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;hydrochloride

C145H163Cl3F9N23O27 — CID 159339293

IUPAC2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;tert-butyl 2-chloro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;6-O-tert-butyl 2-O-ethyl 5,7-dihydropyrrolo[3,4-b]pyridine-2,6-dicarboxylate;tert-butyl 2-(hydroxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;methane;oxolane;phenyl N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]carbamate;2,2,2-trifluoro-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;hydrochloride
SMILESC.C1CCOC1.C1CCOC1.CC(=O)N(C(=O)Oc1ccccc1)c1nc(-c2ccc(F)cc2F)ccc1[N+](=O)[O-].CC(C)(C)OC(=O)N1Cc2ccc(CO)nc2C1.CC(C)(C)OC(=O)N1Cc2ccc(Cl)nc2C1.CCOC(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)C2.COCc1ccc2c(n1)CN(C(=O)C(F)(F)F)C2.COCc1ccc2c(n1)CN(C(=O)Cc1nc(-c3ccc(F)cc3F)ccc1N)C2.COCc1ccc2c(n1)CN(C(=O)Cc1nc(-c3ccc(F)cc3F)ccc1[N+](=O)[O-])C2.COCc1ccc2c(n1)CN(C(=O)OC(C)(C)C)C2.Cl.Clc1ccc2c(n1)CNC2
InChIInChI=1S/C22H18F2N4O4.C22H20F2N4O2.C20H13F2N3O5.C15H20N2O4.C14H20N2O3.C13H18N2O3.C12H15ClN2O2.C11H11F3N2O2.C7H7ClN2.2C4H8O.CH4.ClH/c1-32-12-15-4-2-13-10-27(11-20(13)25-15)22(29)9-19-21(28(30)31)7-6-18(26-19)16-5-3-14(23)8-17(16)24;1-30-12-15-4-2-13-10-28(11-21(13)26-15)22(29)9-20-18(25)6-7-19(27-20)16-5-3-14(23)8-17(16)24;1-12(26)24(20(27)30-14-5-3-2-4-6-14)19-18(25(28)29)10-9-17(23-19)15-8-7-13(21)11-16(15)22;1-5-20-13(18)11-7-6-10-8-17(9-12(10)16-11)14(19)21-15(2,3)4;1-14(2,3)19-13(17)16-7-10-5-6-11(9-18-4)15-12(10)8-16;1-13(2,3)18-12(17)15-6-9-4-5-10(8-16)14-11(9)7-15;1-12(2,3)17-11(16)15-6-8-4-5-10(13)14-9(8)7-15;1-18-6-8-3-2-7-4-16(5-9(7)15-8)10(17)11(12,13)14;8-7-2-1-5-3-9-4-6(5)10-7;2*1-2-4-5-3-1;;/h2-8H,9-12H2,1H3;2-8H,9-12,25H2,1H3;2-11H,1H3;6-7H,5,8-9H2,1-4H3;5-6H,7-9H2,1-4H3;4-5,16H,6-8H2,1-3H3;4-5H,6-7H2,1-3H3;2-3H,4-6H2,1H3;1-2,9H,3-4H2;2*1-4H2;1H4;1H
InChIKeyZFABDUHYLZSMIR-UHFFFAOYSA-N
MW2937.37 g/mol
LogP26.70
Rot. Bonds22

About 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;tert-butyl 2-chloro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;6-O-tert-butyl 2-O-ethyl 5,7-dihydropyrrolo[3,4-b]pyridine-2,6-dicarboxylate;tert-butyl 2-(hydroxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;methane;oxolane;phenyl N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]carbamate;2,2,2-trifluoro-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;hydrochloride

2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;tert-butyl 2-chloro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;6-O-tert-butyl 2-O-ethyl 5,7-dihydropyrrolo[3,4-b]pyridine-2,6-dicarboxylate;tert-butyl 2-(hydroxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;methane;oxolane;phenyl N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]carbamate;2,2,2-trifluoro-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;hydrochloride (PubChem CID 159339293) has the molecular formula C145H163Cl3F9N23O27 and a molecular weight of 2937.37 g/mol. Its IUPAC name is 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;tert-butyl 2-chloro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;6-O-tert-butyl 2-O-ethyl 5,7-dihydropyrrolo[3,4-b]pyridine-2,6-dicarboxylate;tert-butyl 2-(hydroxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;methane;oxolane;phenyl N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]carbamate;2,2,2-trifluoro-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;tert-butyl 2-chloro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;6-O-tert-butyl 2-O-ethyl 5,7-dihydropyrrolo[3,4-b]pyridine-2,6-dicarboxylate;tert-butyl 2-(hydroxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;methane;oxolane;phenyl N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]carbamate;2,2,2-trifluoro-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;hydrochloride
PubChem CID159339293
Molecular FormulaC145H163Cl3F9N23O27
Molecular Weight2937.37 g/mol
Exact Mass2934.10
IUPAC Name2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;tert-butyl 2-chloro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;6-O-tert-butyl 2-O-ethyl 5,7-dihydropyrrolo[3,4-b]pyridine-2,6-dicarboxylate;tert-butyl 2-(hydroxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;methane;oxolane;phenyl N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]carbamate;2,2,2-trifluoro-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;hydrochloride
SMILESC.C1CCOC1.C1CCOC1.CC(=O)N(C(=O)Oc1ccccc1)c1nc(-c2ccc(F)cc2F)ccc1[N+](=O)[O-].CC(C)(C)OC(=O)N1Cc2ccc(CO)nc2C1.CC(C)(C)OC(=O)N1Cc2ccc(Cl)nc2C1.CCOC(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)C2.COCc1ccc2c(n1)CN(C(=O)C(F)(F)F)C2.COCc1ccc2c(n1)CN(C(=O)Cc1nc(-c3ccc(F)cc3F)ccc1N)C2.COCc1ccc2c(n1)CN(C(=O)Cc1nc(-c3ccc(F)cc3F)ccc1[N+](=O)[O-])C2.COCc1ccc2c(n1)CN(C(=O)OC(C)(C)C)C2.Cl.Clc1ccc2c(n1)CNC2
InChIInChI=1S/C22H18F2N4O4.C22H20F2N4O2.C20H13F2N3O5.C15H20N2O4.C14H20N2O3.C13H18N2O3.C12H15ClN2O2.C11H11F3N2O2.C7H7ClN2.2C4H8O.CH4.ClH/c1-32-12-15-4-2-13-10-27(11-20(13)25-15)22(29)9-19-21(28(30)31)7-6-18(26-19)16-5-3-14(23)8-17(16)24;1-30-12-15-4-2-13-10-28(11-21(13)26-15)22(29)9-20-18(25)6-7-19(27-20)16-5-3-14(23)8-17(16)24;1-12(26)24(20(27)30-14-5-3-2-4-6-14)19-18(25(28)29)10-9-17(23-19)15-8-7-13(21)11-16(15)22;1-5-20-13(18)11-7-6-10-8-17(9-12(10)16-11)14(19)21-15(2,3)4;1-14(2,3)19-13(17)16-7-10-5-6-11(9-18-4)15-12(10)8-16;1-13(2,3)18-12(17)15-6-9-4-5-10(8-16)14-11(9)7-15;1-12(2,3)17-11(16)15-6-8-4-5-10(13)14-9(8)7-15;1-18-6-8-3-2-7-4-16(5-9(7)15-8)10(17)11(12,13)14;8-7-2-1-5-3-9-4-6(5)10-7;2*1-2-4-5-3-1;;/h2-8H,9-12H2,1H3;2-8H,9-12,25H2,1H3;2-11H,1H3;6-7H,5,8-9H2,1-4H3;5-6H,7-9H2,1-4H3;4-5,16H,6-8H2,1-3H3;4-5H,6-7H2,1-3H3;2-3H,4-6H2,1H3;1-2,9H,3-4H2;2*1-4H2;1H4;1H
InChIKeyZFABDUHYLZSMIR-UHFFFAOYSA-N
XLogP26.70
TPSA593.73 Ų
H-Bond Donors3
H-Bond Acceptors40
Rotatable Bonds22
Heavy Atoms207
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002937.37
LogP ≤ 526.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;tert-butyl 2-chloro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;6-O-tert-butyl 2-O-ethyl 5,7-dihydropyrrolo[3,4-b]pyridine-2,6-dicarboxylate;tert-butyl 2-(hydroxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;methane;oxolane;phenyl N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]carbamate;2,2,2-trifluoro-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;tert-butyl 2-chloro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;6-O-tert-butyl 2-O-ethyl 5,7-dihydropyrrolo[3,4-b]pyridine-2,6-dicarboxylate;tert-butyl 2-(hydroxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;methane;oxolane;phenyl N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]carbamate;2,2,2-trifluoro-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;hydrochloride?
The IUPAC name of 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;tert-butyl 2-chloro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;6-O-tert-butyl 2-O-ethyl 5,7-dihydropyrrolo[3,4-b]pyridine-2,6-dicarboxylate;tert-butyl 2-(hydroxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;methane;oxolane;phenyl N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]carbamate;2,2,2-trifluoro-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;hydrochloride (CID 159339293) is 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;tert-butyl 2-chloro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;6-O-tert-butyl 2-O-ethyl 5,7-dihydropyrrolo[3,4-b]pyridine-2,6-dicarboxylate;tert-butyl 2-(hydroxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;methane;oxolane;phenyl N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]carbamate;2,2,2-trifluoro-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;tert-butyl 2-chloro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;6-O-tert-butyl 2-O-ethyl 5,7-dihydropyrrolo[3,4-b]pyridine-2,6-dicarboxylate;tert-butyl 2-(hydroxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;methane;oxolane;phenyl N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]carbamate;2,2,2-trifluoro-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;hydrochloride?
The canonical SMILES for 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;tert-butyl 2-chloro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;6-O-tert-butyl 2-O-ethyl 5,7-dihydropyrrolo[3,4-b]pyridine-2,6-dicarboxylate;tert-butyl 2-(hydroxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;methane;oxolane;phenyl N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]carbamate;2,2,2-trifluoro-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;hydrochloride is C.C1CCOC1.C1CCOC1.CC(=O)N(C(=O)Oc1ccccc1)c1nc(-c2ccc(F)cc2F)ccc1[N+](=O)[O-].CC(C)(C)OC(=O)N1Cc2ccc(CO)nc2C1.CC(C)(C)OC(=O)N1Cc2ccc(Cl)nc2C1.CCOC(=O)c1ccc2c(n1)CN(C(=O)OC(C)(C)C)C2.COCc1ccc2c(n1)CN(C(=O)C(F)(F)F)C2.COCc1ccc2c(n1)CN(C(=O)Cc1nc(-c3ccc(F)cc3F)ccc1N)C2.COCc1ccc2c(n1)CN(C(=O)Cc1nc(-c3ccc(F)cc3F)ccc1[N+](=O)[O-])C2.COCc1ccc2c(n1)CN(C(=O)OC(C)(C)C)C2.Cl.Clc1ccc2c(n1)CNC2.
What is the InChIKey of 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;tert-butyl 2-chloro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;6-O-tert-butyl 2-O-ethyl 5,7-dihydropyrrolo[3,4-b]pyridine-2,6-dicarboxylate;tert-butyl 2-(hydroxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;methane;oxolane;phenyl N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]carbamate;2,2,2-trifluoro-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;hydrochloride?
The InChIKey is ZFABDUHYLZSMIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F2N4O4.C22H20F2N4O2.C20H13F2N3O5.C15H20N2O4.C14H20N2O3.C13H18N2O3.C12H15ClN2O2.C11H11F3N2O2.C7H7ClN2.2C4H8O.CH4.ClH/c1-32-12-15-4-2-13-10-27(11-20(13)25-15)22(29)9-19-21(28(30)31)7-6-18(26-19)16-5-3-14(23)8-17(16)24;1-30-12-15-4-2-13-10-28(11-21(13)26-15)22(29)9-20-18(25)6-7-19(27-20)16-5-3-14(23)8-17(16)24;1-12(26)24(20(27)30-14-5-3-2-4-6-14)19-18(25(28)29)10-9-17(23-19)15-8-7-13(21)11-16(15)22;1-5-20-13(18)11-7-6-10-8-17(9-12(10)16-11)14(19)21-15(2,3)4;1-14(2,3)19-13(17)16-7-10-5-6-11(9-18-4)15-12(10)8-16;1-13(2,3)18-12(17)15-6-9-4-5-10(8-16)14-11(9)7-15;1-12(2,3)17-11(16)15-6-8-4-5-10(13)14-9(8)7-15;1-18-6-8-3-2-7-4-16(5-9(7)15-8)10(17)11(12,13)14;8-7-2-1-5-3-9-4-6(5)10-7;2*1-2-4-5-3-1;;/h2-8H,9-12H2,1H3;2-8H,9-12,25H2,1H3;2-11H,1H3;6-7H,5,8-9H2,1-4H3;5-6H,7-9H2,1-4H3;4-5,16H,6-8H2,1-3H3;4-5H,6-7H2,1-3H3;2-3H,4-6H2,1H3;1-2,9H,3-4H2;2*1-4H2;1H4;1H.
What are the key properties of 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;tert-butyl 2-chloro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;6-O-tert-butyl 2-O-ethyl 5,7-dihydropyrrolo[3,4-b]pyridine-2,6-dicarboxylate;tert-butyl 2-(hydroxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;methane;oxolane;phenyl N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]carbamate;2,2,2-trifluoro-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;hydrochloride?
2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;tert-butyl 2-chloro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;6-O-tert-butyl 2-O-ethyl 5,7-dihydropyrrolo[3,4-b]pyridine-2,6-dicarboxylate;tert-butyl 2-(hydroxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;methane;oxolane;phenyl N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]carbamate;2,2,2-trifluoro-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;hydrochloride has a molecular weight of 2937.37 g/mol, XLogP of 26.70, 22 rotatable bonds, 3 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-6-(2,4-difluorophenyl)-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;tert-butyl 2-chloro-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;6-O-tert-butyl 2-O-ethyl 5,7-dihydropyrrolo[3,4-b]pyridine-2,6-dicarboxylate;tert-butyl 2-(hydroxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;tert-butyl 2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridine-6-carboxylate;2-chloro-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine;2-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;methane;oxolane;phenyl N-acetyl-N-[6-(2,4-difluorophenyl)-3-nitro-2-pyridinyl]carbamate;2,2,2-trifluoro-1-[2-(methoxymethyl)-5,7-dihydropyrrolo[3,4-b]pyridin-6-yl]ethanone;hydrochloride is sourced from PubChem (CID 159339293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).