5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1-(5-bromo-3-pyridinyl)-3,3-dimethylbutan-2-one;carbanide;diiodovanadium;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-[3-formyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;iodomethane;methane;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

C151H177B3Br2F3I3N31O17V- — CID 159095482

IUPAC5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1-(5-bromo-3-pyridinyl)-3,3-dimethylbutan-2-one;carbanide;diiodovanadium;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-[3-formyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;iodomethane;methane;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESC.C.CC(C)(C)C(=O)Cc1cncc(Br)c1.CC(C)(C)C(=O)Nc1cncc(-c2cnc3c(c2)c(-c2nc4c(-c5cccc(F)c5)cncc4[nH]2)nn3C2CCCCO2)c1.CC(C)(C)C(=O)Nc1cncc(-c2cnc3c(c2)c(C=O)nn3C2CCCCO2)c1.CC(C)(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc3c(c2)c(C=O)nn3C2CCCCO2)OC1(C)C.CI.I[V]I.Nc1cncc(-c2cccc(F)c2)c1N.O=Cc1nn(C2CCCCO2)c2ncc(Br)cc12.[CH3-]
InChIInChI=1S/C33H31FN8O2.C28H23FN8O.C22H25N5O3.C18H24BN3O4.C12H24B2O4.C12H12BrN3O2.C11H14BrNO.C11H10FN3.CH3I.2CH4.CH3.2HI.V/c1-33(2,3)32(43)38-23-12-20(14-35-16-23)21-13-24-29(41-42(31(24)37-15-21)27-9-4-5-10-44-27)30-39-26-18-36-17-25(28(26)40-30)19-7-6-8-22(34)11-19;1-28(2,3)27(38)33-19-8-16(10-30-12-19)17-9-20-24(36-37-25(20)32-11-17)26-34-22-14-31-13-21(23(22)35-26)15-5-4-6-18(29)7-15;1-22(2,3)21(29)25-16-8-14(10-23-12-16)15-9-17-18(13-28)26-27(20(17)24-11-15)19-6-4-5-7-30-19;1-17(2)18(3,4)26-19(25-17)12-9-13-14(11-23)21-22(16(13)20-10-12)15-7-5-6-8-24-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-8-5-9-10(7-17)15-16(12(9)14-6-8)11-3-1-2-4-18-11;1-11(2,3)10(14)5-8-4-9(12)7-13-6-8;12-8-3-1-2-7(4-8)9-5-15-6-10(13)11(9)14;1-2;;;;;;/h6-8,11-18,27H,4-5,9-10H2,1-3H3,(H,38,43)(H,39,40);4-14H,1-3H3,(H,33,38)(H,34,35)(H,32,36,37);8-13,19H,4-7H2,1-3H3,(H,25,29);9-11,15H,5-8H2,1-4H3;1-8H3;5-7,11H,1-4H2;4,6-7H,5H2,1-3H3;1-6H,13H2,(H2,14,15);1H3;2*1H4;1H3;2*1H;/q;;;;;;;;;;;-1;;;+2/p-2
InChIKeyNRRJIGKTYPIRHE-UHFFFAOYSA-L
MW3379.17 g/mol
LogP33.45
Rot. Bonds22

About 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1-(5-bromo-3-pyridinyl)-3,3-dimethylbutan-2-one;carbanide;diiodovanadium;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-[3-formyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;iodomethane;methane;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane

5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1-(5-bromo-3-pyridinyl)-3,3-dimethylbutan-2-one;carbanide;diiodovanadium;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-[3-formyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;iodomethane;methane;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (PubChem CID 159095482) has the molecular formula C151H177B3Br2F3I3N31O17V- and a molecular weight of 3379.17 g/mol. Its IUPAC name is 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1-(5-bromo-3-pyridinyl)-3,3-dimethylbutan-2-one;carbanide;diiodovanadium;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-[3-formyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;iodomethane;methane;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.

Molecular Properties

Compound Name5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1-(5-bromo-3-pyridinyl)-3,3-dimethylbutan-2-one;carbanide;diiodovanadium;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-[3-formyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;iodomethane;methane;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
PubChem CID159095482
Molecular FormulaC151H177B3Br2F3I3N31O17V-
Molecular Weight3379.17 g/mol
Exact Mass3375.91
IUPAC Name5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1-(5-bromo-3-pyridinyl)-3,3-dimethylbutan-2-one;carbanide;diiodovanadium;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-[3-formyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;iodomethane;methane;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane
SMILESC.C.CC(C)(C)C(=O)Cc1cncc(Br)c1.CC(C)(C)C(=O)Nc1cncc(-c2cnc3c(c2)c(-c2nc4c(-c5cccc(F)c5)cncc4[nH]2)nn3C2CCCCO2)c1.CC(C)(C)C(=O)Nc1cncc(-c2cnc3c(c2)c(C=O)nn3C2CCCCO2)c1.CC(C)(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc3c(c2)c(C=O)nn3C2CCCCO2)OC1(C)C.CI.I[V]I.Nc1cncc(-c2cccc(F)c2)c1N.O=Cc1nn(C2CCCCO2)c2ncc(Br)cc12.[CH3-]
InChIInChI=1S/C33H31FN8O2.C28H23FN8O.C22H25N5O3.C18H24BN3O4.C12H24B2O4.C12H12BrN3O2.C11H14BrNO.C11H10FN3.CH3I.2CH4.CH3.2HI.V/c1-33(2,3)32(43)38-23-12-20(14-35-16-23)21-13-24-29(41-42(31(24)37-15-21)27-9-4-5-10-44-27)30-39-26-18-36-17-25(28(26)40-30)19-7-6-8-22(34)11-19;1-28(2,3)27(38)33-19-8-16(10-30-12-19)17-9-20-24(36-37-25(20)32-11-17)26-34-22-14-31-13-21(23(22)35-26)15-5-4-6-18(29)7-15;1-22(2,3)21(29)25-16-8-14(10-23-12-16)15-9-17-18(13-28)26-27(20(17)24-11-15)19-6-4-5-7-30-19;1-17(2)18(3,4)26-19(25-17)12-9-13-14(11-23)21-22(16(13)20-10-12)15-7-5-6-8-24-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-8-5-9-10(7-17)15-16(12(9)14-6-8)11-3-1-2-4-18-11;1-11(2,3)10(14)5-8-4-9(12)7-13-6-8;12-8-3-1-2-7(4-8)9-5-15-6-10(13)11(9)14;1-2;;;;;;/h6-8,11-18,27H,4-5,9-10H2,1-3H3,(H,38,43)(H,39,40);4-14H,1-3H3,(H,33,38)(H,34,35)(H,32,36,37);8-13,19H,4-7H2,1-3H3,(H,25,29);9-11,15H,5-8H2,1-4H3;1-8H3;5-7,11H,1-4H2;4,6-7H,5H2,1-3H3;1-6H,13H2,(H2,14,15);1H3;2*1H4;1H3;2*1H;/q;;;;;;;;;;;-1;;;+2/p-2
InChIKeyNRRJIGKTYPIRHE-UHFFFAOYSA-L
XLogP33.45
TPSA611.92 Ų
H-Bond Donors8
H-Bond Acceptors42
Rotatable Bonds22
Heavy Atoms211
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003379.17
LogP ≤ 533.45
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1042

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1-(5-bromo-3-pyridinyl)-3,3-dimethylbutan-2-one;carbanide;diiodovanadium;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-[3-formyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;iodomethane;methane;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1-(5-bromo-3-pyridinyl)-3,3-dimethylbutan-2-one;carbanide;diiodovanadium;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-[3-formyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;iodomethane;methane;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The IUPAC name of 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1-(5-bromo-3-pyridinyl)-3,3-dimethylbutan-2-one;carbanide;diiodovanadium;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-[3-formyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;iodomethane;methane;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (CID 159095482) is 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1-(5-bromo-3-pyridinyl)-3,3-dimethylbutan-2-one;carbanide;diiodovanadium;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-[3-formyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;iodomethane;methane;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane.
What is the SMILES notation for 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1-(5-bromo-3-pyridinyl)-3,3-dimethylbutan-2-one;carbanide;diiodovanadium;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-[3-formyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;iodomethane;methane;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The canonical SMILES for 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1-(5-bromo-3-pyridinyl)-3,3-dimethylbutan-2-one;carbanide;diiodovanadium;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-[3-formyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;iodomethane;methane;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is C.C.CC(C)(C)C(=O)Cc1cncc(Br)c1.CC(C)(C)C(=O)Nc1cncc(-c2cnc3c(c2)c(-c2nc4c(-c5cccc(F)c5)cncc4[nH]2)nn3C2CCCCO2)c1.CC(C)(C)C(=O)Nc1cncc(-c2cnc3c(c2)c(C=O)nn3C2CCCCO2)c1.CC(C)(C)C(=O)Nc1cncc(-c2cnc3n[nH]c(-c4nc5c(-c6cccc(F)c6)cncc5[nH]4)c3c2)c1.CC1(C)OB(B2OC(C)(C)C(C)(C)O2)OC1(C)C.CC1(C)OB(c2cnc3c(c2)c(C=O)nn3C2CCCCO2)OC1(C)C.CI.I[V]I.Nc1cncc(-c2cccc(F)c2)c1N.O=Cc1nn(C2CCCCO2)c2ncc(Br)cc12.[CH3-].
What is the InChIKey of 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1-(5-bromo-3-pyridinyl)-3,3-dimethylbutan-2-one;carbanide;diiodovanadium;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-[3-formyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;iodomethane;methane;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
The InChIKey is NRRJIGKTYPIRHE-UHFFFAOYSA-L. The full InChI is InChI=1S/C33H31FN8O2.C28H23FN8O.C22H25N5O3.C18H24BN3O4.C12H24B2O4.C12H12BrN3O2.C11H14BrNO.C11H10FN3.CH3I.2CH4.CH3.2HI.V/c1-33(2,3)32(43)38-23-12-20(14-35-16-23)21-13-24-29(41-42(31(24)37-15-21)27-9-4-5-10-44-27)30-39-26-18-36-17-25(28(26)40-30)19-7-6-8-22(34)11-19;1-28(2,3)27(38)33-19-8-16(10-30-12-19)17-9-20-24(36-37-25(20)32-11-17)26-34-22-14-31-13-21(23(22)35-26)15-5-4-6-18(29)7-15;1-22(2,3)21(29)25-16-8-14(10-23-12-16)15-9-17-18(13-28)26-27(20(17)24-11-15)19-6-4-5-7-30-19;1-17(2)18(3,4)26-19(25-17)12-9-13-14(11-23)21-22(16(13)20-10-12)15-7-5-6-8-24-15;1-9(2)10(3,4)16-13(15-9)14-17-11(5,6)12(7,8)18-14;13-8-5-9-10(7-17)15-16(12(9)14-6-8)11-3-1-2-4-18-11;1-11(2,3)10(14)5-8-4-9(12)7-13-6-8;12-8-3-1-2-7(4-8)9-5-15-6-10(13)11(9)14;1-2;;;;;;/h6-8,11-18,27H,4-5,9-10H2,1-3H3,(H,38,43)(H,39,40);4-14H,1-3H3,(H,33,38)(H,34,35)(H,32,36,37);8-13,19H,4-7H2,1-3H3,(H,25,29);9-11,15H,5-8H2,1-4H3;1-8H3;5-7,11H,1-4H2;4,6-7H,5H2,1-3H3;1-6H,13H2,(H2,14,15);1H3;2*1H4;1H3;2*1H;/q;;;;;;;;;;;-1;;;+2/p-2.
What are the key properties of 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1-(5-bromo-3-pyridinyl)-3,3-dimethylbutan-2-one;carbanide;diiodovanadium;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-[3-formyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;iodomethane;methane;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane?
5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1-(5-bromo-3-pyridinyl)-3,3-dimethylbutan-2-one;carbanide;diiodovanadium;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-[3-formyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;iodomethane;methane;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane has a molecular weight of 3379.17 g/mol, XLogP of 33.45, 22 rotatable bonds, 8 hydrogen bond donors, and 42 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(oxan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;1-(5-bromo-3-pyridinyl)-3,3-dimethylbutan-2-one;carbanide;diiodovanadium;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-1-(oxan-2-yl)pyrazolo[5,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;N-[5-[3-[7-(3-fluorophenyl)-3H-imidazo[4,5-c]pyridin-2-yl]-2H-pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;5-(3-fluorophenyl)pyridine-3,4-diamine;N-[5-[3-formyl-1-(oxan-2-yl)pyrazolo[3,4-b]pyridin-5-yl]-3-pyridinyl]-2,2-dimethylpropanamide;iodomethane;methane;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazolo[3,4-b]pyridine-3-carbaldehyde;4,4,5,5-tetramethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane is sourced from PubChem (CID 159095482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).