3-bromopyridine;tert-butyl 3-iodo-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-pyridin-3-yl-2H-pyrazolo[4,3-b]pyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]boronic acid;5-(oxan-2-yl)-2-pyridin-3-yl-5H-pyrrolo[3,4-b]pyridine;5-pyridin-3-yl-1H-pyrazolo[4,5-b]pyridine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium)

C161H165BBrI11N36O12SnV5-5 — CID 159327103

IUPAC3-bromopyridine;tert-butyl 3-iodo-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-pyridin-3-yl-2H-pyrazolo[4,3-b]pyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]boronic acid;5-(oxan-2-yl)-2-pyridin-3-yl-5H-pyrrolo[3,4-b]pyridine;5-pyridin-3-yl-1H-pyrazolo[4,5-b]pyridine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium)
SMILESBrc1cccnc1.C1=NC(C2CCCCO2)c2ccc(-c3cccnc3)nc21.CC(C)(C)OC(=O)N1c2nccc(-c3cccnc3)c2CC1B(O)O.CC(C)(C)OC(=O)n1nc(-c2cc3c(-c4cccnc4)ccnc3n2C(=O)OC(C)(C)C)c2nc(-c3cccnc3)ccc21.CC(C)(C)OC(=O)n1nc(I)c2nc(-c3cccnc3)ccc21.CCCC[Sn](CCCC)(CCCC)c1ccc2c(cnn2C2CCCCO2)n1.I[C-](I)I.I[CH-]I.I[V](I)I.Ic1[nH]nc2ccc(-c3cccnc3)nc12.[CH2-]I.[CH3-].[CH3-].[V].[V].[V].[V].c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)ccnc5[nH]4)c3n2)c1.c1cncc(-c2ccc3[nH]ncc3n2)c1
InChIInChI=1S/C33H31N7O4.C23H15N7.C17H20BN3O4.C17H17N3O.C16H15IN4O2.C11H7IN4.C11H8N4.C11H12N3O.C5H4BrN.3C4H9.CI3.CHI2.CH2I.2CH3.3HI.Sn.5V/c1-32(2,3)43-30(41)39-26(17-23-22(13-16-36-29(23)39)20-9-7-14-34-18-20)28-27-25(40(38-28)31(42)44-33(4,5)6)12-11-24(37-27)21-10-8-15-35-19-21;1-3-14(12-24-8-1)16-7-10-26-23-17(16)11-20(28-23)22-21-19(29-30-22)6-5-18(27-21)15-4-2-9-25-13-15;1-17(2,3)25-16(22)21-14(18(23)24)9-13-12(6-8-20-15(13)21)11-5-4-7-19-10-11;1-2-9-21-16(5-1)17-13-6-7-14(20-15(13)11-19-17)12-4-3-8-18-10-12;1-16(2,3)23-15(22)21-12-7-6-11(10-5-4-8-18-9-10)19-13(12)14(17)20-21;12-11-10-9(15-16-11)4-3-8(14-10)7-2-1-5-13-6-7;1-2-8(6-12-5-1)9-3-4-10-11(14-9)7-13-15-10;1-2-7-15-11(5-1)14-10-4-3-6-12-9(10)8-13-14;6-5-2-1-3-7-4-5;3*1-3-4-2;2-1(3)4;2-1-3;1-2;;;;;;;;;;;/h7-19H,1-6H3;1-13H,(H,26,28)(H,29,30);4-8,10,14,23-24H,9H2,1-3H3;3-4,6-8,10-11,16-17H,1-2,5,9H2;4-9H,1-3H3;1-6H,(H,15,16);1-7H,(H,13,15);3-4,8,11H,1-2,5,7H2;1-4H;3*1,3-4H2,2H3;;1H;1H2;2*1H3;3*1H;;;;;;/q;;;;;;;;;;;;5*-1;;;;;;;;;+3/p-3
InChIKeyISTYMWUAYQNNOV-UHFFFAOYSA-K
MW4656.42 g/mol
LogP42.80
Rot. Bonds24

About 3-bromopyridine;tert-butyl 3-iodo-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-pyridin-3-yl-2H-pyrazolo[4,3-b]pyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]boronic acid;5-(oxan-2-yl)-2-pyridin-3-yl-5H-pyrrolo[3,4-b]pyridine;5-pyridin-3-yl-1H-pyrazolo[4,5-b]pyridine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium)

3-bromopyridine;tert-butyl 3-iodo-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-pyridin-3-yl-2H-pyrazolo[4,3-b]pyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]boronic acid;5-(oxan-2-yl)-2-pyridin-3-yl-5H-pyrrolo[3,4-b]pyridine;5-pyridin-3-yl-1H-pyrazolo[4,5-b]pyridine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium) (PubChem CID 159327103) has the molecular formula C161H165BBrI11N36O12SnV5-5 and a molecular weight of 4656.42 g/mol. Its IUPAC name is 3-bromopyridine;tert-butyl 3-iodo-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-pyridin-3-yl-2H-pyrazolo[4,3-b]pyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]boronic acid;5-(oxan-2-yl)-2-pyridin-3-yl-5H-pyrrolo[3,4-b]pyridine;5-pyridin-3-yl-1H-pyrazolo[4,5-b]pyridine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium).

Molecular Properties

Compound Name3-bromopyridine;tert-butyl 3-iodo-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-pyridin-3-yl-2H-pyrazolo[4,3-b]pyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]boronic acid;5-(oxan-2-yl)-2-pyridin-3-yl-5H-pyrrolo[3,4-b]pyridine;5-pyridin-3-yl-1H-pyrazolo[4,5-b]pyridine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium)
PubChem CID159327103
Molecular FormulaC161H165BBrI11N36O12SnV5-5
Molecular Weight4656.42 g/mol
Exact Mass4654.84
IUPAC Name3-bromopyridine;tert-butyl 3-iodo-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-pyridin-3-yl-2H-pyrazolo[4,3-b]pyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]boronic acid;5-(oxan-2-yl)-2-pyridin-3-yl-5H-pyrrolo[3,4-b]pyridine;5-pyridin-3-yl-1H-pyrazolo[4,5-b]pyridine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium)
SMILESBrc1cccnc1.C1=NC(C2CCCCO2)c2ccc(-c3cccnc3)nc21.CC(C)(C)OC(=O)N1c2nccc(-c3cccnc3)c2CC1B(O)O.CC(C)(C)OC(=O)n1nc(-c2cc3c(-c4cccnc4)ccnc3n2C(=O)OC(C)(C)C)c2nc(-c3cccnc3)ccc21.CC(C)(C)OC(=O)n1nc(I)c2nc(-c3cccnc3)ccc21.CCCC[Sn](CCCC)(CCCC)c1ccc2c(cnn2C2CCCCO2)n1.I[C-](I)I.I[CH-]I.I[V](I)I.Ic1[nH]nc2ccc(-c3cccnc3)nc12.[CH2-]I.[CH3-].[CH3-].[V].[V].[V].[V].c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)ccnc5[nH]4)c3n2)c1.c1cncc(-c2ccc3[nH]ncc3n2)c1
InChIInChI=1S/C33H31N7O4.C23H15N7.C17H20BN3O4.C17H17N3O.C16H15IN4O2.C11H7IN4.C11H8N4.C11H12N3O.C5H4BrN.3C4H9.CI3.CHI2.CH2I.2CH3.3HI.Sn.5V/c1-32(2,3)43-30(41)39-26(17-23-22(13-16-36-29(23)39)20-9-7-14-34-18-20)28-27-25(40(38-28)31(42)44-33(4,5)6)12-11-24(37-27)21-10-8-15-35-19-21;1-3-14(12-24-8-1)16-7-10-26-23-17(16)11-20(28-23)22-21-19(29-30-22)6-5-18(27-21)15-4-2-9-25-13-15;1-17(2,3)25-16(22)21-14(18(23)24)9-13-12(6-8-20-15(13)21)11-5-4-7-19-10-11;1-2-9-21-16(5-1)17-13-6-7-14(20-15(13)11-19-17)12-4-3-8-18-10-12;1-16(2,3)23-15(22)21-12-7-6-11(10-5-4-8-18-9-10)19-13(12)14(17)20-21;12-11-10-9(15-16-11)4-3-8(14-10)7-2-1-5-13-6-7;1-2-8(6-12-5-1)9-3-4-10-11(14-9)7-13-15-10;1-2-7-15-11(5-1)14-10-4-3-6-12-9(10)8-13-14;6-5-2-1-3-7-4-5;3*1-3-4-2;2-1(3)4;2-1-3;1-2;;;;;;;;;;;/h7-19H,1-6H3;1-13H,(H,26,28)(H,29,30);4-8,10,14,23-24H,9H2,1-3H3;3-4,6-8,10-11,16-17H,1-2,5,9H2;4-9H,1-3H3;1-6H,(H,15,16);1-7H,(H,13,15);3-4,8,11H,1-2,5,7H2;1-4H;3*1,3-4H2,2H3;;1H;1H2;2*1H3;3*1H;;;;;;/q;;;;;;;;;;;;5*-1;;;;;;;;;+3/p-3
InChIKeyISTYMWUAYQNNOV-UHFFFAOYSA-K
XLogP42.80
TPSA597.74 Ų
H-Bond Donors6
H-Bond Acceptors43
Rotatable Bonds24
Heavy Atoms228
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004656.42
LogP ≤ 542.80
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1043

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', '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 3-bromopyridine;tert-butyl 3-iodo-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-pyridin-3-yl-2H-pyrazolo[4,3-b]pyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]boronic acid;5-(oxan-2-yl)-2-pyridin-3-yl-5H-pyrrolo[3,4-b]pyridine;5-pyridin-3-yl-1H-pyrazolo[4,5-b]pyridine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium) with MolForge

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Related Compounds

CID 157101744
CID 157101744
CID 158002595
CID 158002595
1-(5-bromo-3-pyridinyl)-N,N-dimethylmethanamine;tert-butyl 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]pyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 5-[5-[(dimethylamino)methyl]-3-pyridinyl]-3-iodopyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;N,N-dimethyl-1-[5-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]-3-pyridinyl]methanamine;N,N-dimethyl-1-[5-(1H-pyrazolo[4,5-b]pyridin-5-yl)-3-pyridinyl]methanamine;[4-(2-fluorophenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-c]pyridin-2-yl]boronic acid;1-[5-[3-[4-(2-fluorophenyl)-1H-pyrrolo[2,3-c]pyridin-2-yl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]-N,N-dimethylmethanamine;1-[5-(3-iodo-2H-pyrazolo[4,3-b]pyridin-5-yl)-3-pyridinyl]-N,N-dimethylmethanamine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodovanadium
CID 158136759
tert-butyl N-[(5-bromo-4-methyl-3-pyridinyl)methyl]-N-ethylcarbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[1-(oxan-2-yl)-3-[2-pyridin-4-yl-3-(2-trimethylsilylethoxymethyl)imidazol-4-yl]indazol-5-yl]-3-pyridinyl]methyl]carbamate;tert-butyl N-ethyl-N-[[4-methyl-5-[3-(2-pyridin-4-yl-1H-imidazol-5-yl)-1H-indazol-5-yl]-3-pyridinyl]methyl]carbamate;ethane;trimethyl-[2-[[5-[1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indazol-3-yl]-2-pyridin-4-ylimidazol-1-yl]methoxy]ethyl]silane
CID 158565325
3-[(3R)-3-[(5-bromo-1H-pyrrolo[2,3-b]pyridin-4-yl)amino]piperidin-1-yl]-3-oxopropanenitrile;3-[(3R)-3-[[5-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile;3-methyl-1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;3-[(3R)-3-[[5-(5-methyl-1H-pyrazol-3-yl)-1H-pyrrolo[2,3-b]pyridin-4-yl]amino]piperidin-1-yl]-3-oxopropanenitrile
CID 158611962
tert-butyl 5-bromo-3-[4-(methoxymethyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]benzimidazol-2-yl]pyrazolo[5,4-b]pyridine-1-carboxylate;3-[4-(methoxymethyl)-1H-benzimidazol-2-yl]-5-pyridin-3-yl-2H-pyrazolo[3,4-b]pyridine;pyridin-3-ylboronic acid
CID 159627263
CID 160637073
CID 160637073

Frequently Asked Questions

What is the IUPAC name of 3-bromopyridine;tert-butyl 3-iodo-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-pyridin-3-yl-2H-pyrazolo[4,3-b]pyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]boronic acid;5-(oxan-2-yl)-2-pyridin-3-yl-5H-pyrrolo[3,4-b]pyridine;5-pyridin-3-yl-1H-pyrazolo[4,5-b]pyridine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium)?
The IUPAC name of 3-bromopyridine;tert-butyl 3-iodo-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-pyridin-3-yl-2H-pyrazolo[4,3-b]pyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]boronic acid;5-(oxan-2-yl)-2-pyridin-3-yl-5H-pyrrolo[3,4-b]pyridine;5-pyridin-3-yl-1H-pyrazolo[4,5-b]pyridine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium) (CID 159327103) is 3-bromopyridine;tert-butyl 3-iodo-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-pyridin-3-yl-2H-pyrazolo[4,3-b]pyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]boronic acid;5-(oxan-2-yl)-2-pyridin-3-yl-5H-pyrrolo[3,4-b]pyridine;5-pyridin-3-yl-1H-pyrazolo[4,5-b]pyridine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium).
What is the SMILES notation for 3-bromopyridine;tert-butyl 3-iodo-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-pyridin-3-yl-2H-pyrazolo[4,3-b]pyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]boronic acid;5-(oxan-2-yl)-2-pyridin-3-yl-5H-pyrrolo[3,4-b]pyridine;5-pyridin-3-yl-1H-pyrazolo[4,5-b]pyridine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium)?
The canonical SMILES for 3-bromopyridine;tert-butyl 3-iodo-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-pyridin-3-yl-2H-pyrazolo[4,3-b]pyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]boronic acid;5-(oxan-2-yl)-2-pyridin-3-yl-5H-pyrrolo[3,4-b]pyridine;5-pyridin-3-yl-1H-pyrazolo[4,5-b]pyridine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium) is Brc1cccnc1.C1=NC(C2CCCCO2)c2ccc(-c3cccnc3)nc21.CC(C)(C)OC(=O)N1c2nccc(-c3cccnc3)c2CC1B(O)O.CC(C)(C)OC(=O)n1nc(-c2cc3c(-c4cccnc4)ccnc3n2C(=O)OC(C)(C)C)c2nc(-c3cccnc3)ccc21.CC(C)(C)OC(=O)n1nc(I)c2nc(-c3cccnc3)ccc21.CCCC[Sn](CCCC)(CCCC)c1ccc2c(cnn2C2CCCCO2)n1.I[C-](I)I.I[CH-]I.I[V](I)I.Ic1[nH]nc2ccc(-c3cccnc3)nc12.[CH2-]I.[CH3-].[CH3-].[V].[V].[V].[V].c1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6cccnc6)ccnc5[nH]4)c3n2)c1.c1cncc(-c2ccc3[nH]ncc3n2)c1.
What is the InChIKey of 3-bromopyridine;tert-butyl 3-iodo-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-pyridin-3-yl-2H-pyrazolo[4,3-b]pyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]boronic acid;5-(oxan-2-yl)-2-pyridin-3-yl-5H-pyrrolo[3,4-b]pyridine;5-pyridin-3-yl-1H-pyrazolo[4,5-b]pyridine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium)?
The InChIKey is ISTYMWUAYQNNOV-UHFFFAOYSA-K. The full InChI is InChI=1S/C33H31N7O4.C23H15N7.C17H20BN3O4.C17H17N3O.C16H15IN4O2.C11H7IN4.C11H8N4.C11H12N3O.C5H4BrN.3C4H9.CI3.CHI2.CH2I.2CH3.3HI.Sn.5V/c1-32(2,3)43-30(41)39-26(17-23-22(13-16-36-29(23)39)20-9-7-14-34-18-20)28-27-25(40(38-28)31(42)44-33(4,5)6)12-11-24(37-27)21-10-8-15-35-19-21;1-3-14(12-24-8-1)16-7-10-26-23-17(16)11-20(28-23)22-21-19(29-30-22)6-5-18(27-21)15-4-2-9-25-13-15;1-17(2,3)25-16(22)21-14(18(23)24)9-13-12(6-8-20-15(13)21)11-5-4-7-19-10-11;1-2-9-21-16(5-1)17-13-6-7-14(20-15(13)11-19-17)12-4-3-8-18-10-12;1-16(2,3)23-15(22)21-12-7-6-11(10-5-4-8-18-9-10)19-13(12)14(17)20-21;12-11-10-9(15-16-11)4-3-8(14-10)7-2-1-5-13-6-7;1-2-8(6-12-5-1)9-3-4-10-11(14-9)7-13-15-10;1-2-7-15-11(5-1)14-10-4-3-6-12-9(10)8-13-14;6-5-2-1-3-7-4-5;3*1-3-4-2;2-1(3)4;2-1-3;1-2;;;;;;;;;;;/h7-19H,1-6H3;1-13H,(H,26,28)(H,29,30);4-8,10,14,23-24H,9H2,1-3H3;3-4,6-8,10-11,16-17H,1-2,5,9H2;4-9H,1-3H3;1-6H,(H,15,16);1-7H,(H,13,15);3-4,8,11H,1-2,5,7H2;1-4H;3*1,3-4H2,2H3;;1H;1H2;2*1H3;3*1H;;;;;;/q;;;;;;;;;;;;5*-1;;;;;;;;;+3/p-3.
What are the key properties of 3-bromopyridine;tert-butyl 3-iodo-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-pyridin-3-yl-2H-pyrazolo[4,3-b]pyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]boronic acid;5-(oxan-2-yl)-2-pyridin-3-yl-5H-pyrrolo[3,4-b]pyridine;5-pyridin-3-yl-1H-pyrazolo[4,5-b]pyridine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium)?
3-bromopyridine;tert-butyl 3-iodo-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-pyridin-3-yl-2H-pyrazolo[4,3-b]pyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]boronic acid;5-(oxan-2-yl)-2-pyridin-3-yl-5H-pyrrolo[3,4-b]pyridine;5-pyridin-3-yl-1H-pyrazolo[4,5-b]pyridine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium) has a molecular weight of 4656.42 g/mol, XLogP of 42.80, 24 rotatable bonds, 6 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromopyridine;tert-butyl 3-iodo-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;tert-butyl 3-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-ylpyrrolo[2,3-b]pyridin-2-yl]-5-pyridin-3-ylpyrazolo[4,3-b]pyridine-1-carboxylate;carbanide;diiodomethane;iodomethane;3-iodo-5-pyridin-3-yl-2H-pyrazolo[4,3-b]pyridine;[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]boronic acid;5-(oxan-2-yl)-2-pyridin-3-yl-5H-pyrrolo[3,4-b]pyridine;5-pyridin-3-yl-1H-pyrazolo[4,5-b]pyridine;5-pyridin-3-yl-3-(4-pyridin-3-yl-1H-pyrrolo[2,3-b]pyridin-2-yl)-1H-pyrazolo[4,3-b]pyridine;tributyl-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]stannane;triiodomethane;triiodovanadium;tetrakis(vanadium) is sourced from PubChem (CID 159327103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).