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

C180H205BBrF3I5N41O12SnV- — CID 158136759

IUPAC1-(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
SMILESCC(C)(C)OC(=O)n1c(B(O)O)cc2c(-c3ccccc3F)cncc21.CCCC[Sn](CCCC)(CCCC)c1ccc2c(cnn2C2CCCCO2)n1.CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)cncc5[nH]4)c3n2)c1.CN(C)Cc1cncc(-c2ccc3[nH]ncc3n2)c1.CN(C)Cc1cncc(-c2ccc3c(cnn3C3CCCCO3)n2)c1.CN(C)Cc1cncc(-c2ccc3c(n2)c(-c2cc4c(-c5ccccc5F)cncc4n2C(=O)OC(C)(C)C)nn3C(=O)OC(C)(C)C)c1.CN(C)Cc1cncc(-c2ccc3c(n2)c(I)nn3C(=O)OC(C)(C)C)c1.CN(C)Cc1cncc(-c2ccc3n[nH]c(I)c3n2)c1.CN(C)Cc1cncc(Br)c1.I[V](I)I.[CH3-]
InChIInChI=1S/C37H38FN7O4.C27H22FN7.C19H22IN5O2.C19H23N5O.C18H18BFN2O4.C14H14IN5.C14H15N5.C11H12N3O.C8H11BrN2.3C4H9.CH3.3HI.Sn.V/c1-36(2,3)48-34(46)44-30(16-25-26(19-40-20-31(25)44)24-11-9-10-12-27(24)38)33-32-29(45(42-33)35(47)49-37(4,5)6)14-13-28(41-32)23-15-22(17-39-18-23)21-43(7)8;1-35(2)15-16-9-17(12-29-11-16)22-7-8-23-26(32-22)27(34-33-23)24-10-19-20(13-30-14-25(19)31-24)18-5-3-4-6-21(18)28;1-19(2,3)27-18(26)25-15-7-6-14(22-16(15)17(20)23-25)13-8-12(9-21-10-13)11-24(4)5;1-23(2)13-14-9-15(11-20-10-14)16-6-7-18-17(22-16)12-21-24(18)19-5-3-4-8-25-19;1-18(2,3)26-17(23)22-15-10-21-9-13(11-6-4-5-7-14(11)20)12(15)8-16(22)19(24)25;1-20(2)8-9-5-10(7-16-6-9)11-3-4-12-13(17-11)14(15)19-18-12;1-19(2)9-10-5-11(7-15-6-10)12-3-4-13-14(17-12)8-16-18-13;1-2-7-15-11(5-1)14-10-4-3-6-12-9(10)8-13-14;1-11(2)6-7-3-8(9)5-10-4-7;3*1-3-4-2;;;;;;/h9-20H,21H2,1-8H3;3-14,31H,15H2,1-2H3,(H,33,34);6-10H,11H2,1-5H3;6-7,9-12,19H,3-5,8,13H2,1-2H3;4-10,24-25H,1-3H3;3-7H,8H2,1-2H3,(H,18,19);3-8H,9H2,1-2H3,(H,16,18);3-4,8,11H,1-2,5,7H2;3-5H,6H2,1-2H3;3*1,3-4H2,2H3;1H3;3*1H;;/q;;;;;;;;;;;;-1;;;;;+3/p-3
InChIKeyHNPDYMLMMUZPSD-UHFFFAOYSA-K
MW4086.78 g/mol
LogP38.84
Rot. Bonds38

About 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

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 (PubChem CID 158136759) has the molecular formula C180H205BBrF3I5N41O12SnV- and a molecular weight of 4086.78 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID158136759
Molecular FormulaC180H205BBrF3I5N41O12SnV-
Molecular Weight4086.78 g/mol
Exact Mass4084.96
IUPAC Name1-(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
SMILESCC(C)(C)OC(=O)n1c(B(O)O)cc2c(-c3ccccc3F)cncc21.CCCC[Sn](CCCC)(CCCC)c1ccc2c(cnn2C2CCCCO2)n1.CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)cncc5[nH]4)c3n2)c1.CN(C)Cc1cncc(-c2ccc3[nH]ncc3n2)c1.CN(C)Cc1cncc(-c2ccc3c(cnn3C3CCCCO3)n2)c1.CN(C)Cc1cncc(-c2ccc3c(n2)c(-c2cc4c(-c5ccccc5F)cncc4n2C(=O)OC(C)(C)C)nn3C(=O)OC(C)(C)C)c1.CN(C)Cc1cncc(-c2ccc3c(n2)c(I)nn3C(=O)OC(C)(C)C)c1.CN(C)Cc1cncc(-c2ccc3n[nH]c(I)c3n2)c1.CN(C)Cc1cncc(Br)c1.I[V](I)I.[CH3-]
InChIInChI=1S/C37H38FN7O4.C27H22FN7.C19H22IN5O2.C19H23N5O.C18H18BFN2O4.C14H14IN5.C14H15N5.C11H12N3O.C8H11BrN2.3C4H9.CH3.3HI.Sn.V/c1-36(2,3)48-34(46)44-30(16-25-26(19-40-20-31(25)44)24-11-9-10-12-27(24)38)33-32-29(45(42-33)35(47)49-37(4,5)6)14-13-28(41-32)23-15-22(17-39-18-23)21-43(7)8;1-35(2)15-16-9-17(12-29-11-16)22-7-8-23-26(32-22)27(34-33-23)24-10-19-20(13-30-14-25(19)31-24)18-5-3-4-6-21(18)28;1-19(2,3)27-18(26)25-15-7-6-14(22-16(15)17(20)23-25)13-8-12(9-21-10-13)11-24(4)5;1-23(2)13-14-9-15(11-20-10-14)16-6-7-18-17(22-16)12-21-24(18)19-5-3-4-8-25-19;1-18(2,3)26-17(23)22-15-10-21-9-13(11-6-4-5-7-14(11)20)12(15)8-16(22)19(24)25;1-20(2)8-9-5-10(7-16-6-9)11-3-4-12-13(17-11)14(15)19-18-12;1-19(2)9-10-5-11(7-15-6-10)12-3-4-13-14(17-12)8-16-18-13;1-2-7-15-11(5-1)14-10-4-3-6-12-9(10)8-13-14;1-11(2)6-7-3-8(9)5-10-4-7;3*1-3-4-2;;;;;;/h9-20H,21H2,1-8H3;3-14,31H,15H2,1-2H3,(H,33,34);6-10H,11H2,1-5H3;6-7,9-12,19H,3-5,8,13H2,1-2H3;4-10,24-25H,1-3H3;3-7H,8H2,1-2H3,(H,18,19);3-8H,9H2,1-2H3,(H,16,18);3-4,8,11H,1-2,5,7H2;3-5H,6H2,1-2H3;3*1,3-4H2,2H3;1H3;3*1H;;/q;;;;;;;;;;;;-1;;;;;+3/p-3
InChIKeyHNPDYMLMMUZPSD-UHFFFAOYSA-K
XLogP38.84
TPSA588.90 Ų
H-Bond Donors6
H-Bond Acceptors49
Rotatable Bonds38
Heavy Atoms245
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004086.78
LogP ≤ 538.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1049

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 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 with MolForge

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Related Compounds

2-bromo-4-(trifluoromethyl)pyridine;tert-butyl 5-[(2S,4R)-4-(trifluoromethyl)piperidin-2-yl]pyrazole-1-carboxylate;tert-butyl 5-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-1-carboxylate;2-[2-(oxan-2-yl)pyrazol-3-yl]-4-(trifluoromethyl)pyridine;1-(oxan-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)pyridine;hydrochloride
CID 158180218
CID 157101744
CID 157101744
CID 158002595
CID 158002595
7-bromo-2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-1,5-naphthyridine;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;2-[3-(3,4-difluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine
CID 159250039
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
6-bromo-1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane];1-(7-fluoro-3-methyl-2-pyridin-2-ylquinolin-4-yl)-6-(1H-pyrazol-4-yl)spiro[2H-pyrrolo[3,2-b]pyridine-3,4'-oxane];4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole
CID 160571423
CID 160637073
CID 160637073
CID 160947473
CID 160947473
tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;2-[3-(5-fluoro-6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]-7-(1H-pyrazol-4-yl)-1,5-naphthyridine;trans-(1R,2R)-2-[4-[6-[5-(5-fluoro-6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-1,5-naphthyridin-3-yl]pyrazol-1-yl]cyclohexan-1-amine
CID 161135987
tert-butyl 2-[3-bromo-6-[3-(6-methyl-2-pyridinyl)-1-(oxan-2-yl)pyrazol-4-yl]quinolin-4-yl]pyrrolidine-1-carboxylate;tert-butyl pyrrolidine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazole-1-carboxylate;6-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]-3-(1H-pyrazol-4-yl)-4-pyrrolidin-2-ylquinoline
CID 161204438
5-bromo-1-(oxan-2-yl)pyrazolo[4,5-b]pyridine;5-bromo-1H-pyrazolo[4,5-b]pyridine;tert-butyl 3-methyl-6-[1-(oxan-2-yl)pyrazolo[4,5-b]pyridin-5-yl]-3,4-dihydro-2H-pyridine-1-carboxylate;tert-butyl 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-2H-pyridine-1-carboxylate;3,4-dihydro-2H-pyran;5-[(2S,5R)-5-methylpiperidin-2-yl]-1H-pyrazolo[4,5-b]pyridine;5-(3-methyl-2,3,4,5-tetrahydropyridin-6-yl)-1H-pyrazolo[4,5-b]pyridine
CID 164969678

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)OC(=O)n1c(B(O)O)cc2c(-c3ccccc3F)cncc21.CCCC[Sn](CCCC)(CCCC)c1ccc2c(cnn2C2CCCCO2)n1.CN(C)Cc1cncc(-c2ccc3[nH]nc(-c4cc5c(-c6ccccc6F)cncc5[nH]4)c3n2)c1.CN(C)Cc1cncc(-c2ccc3[nH]ncc3n2)c1.CN(C)Cc1cncc(-c2ccc3c(cnn3C3CCCCO3)n2)c1.CN(C)Cc1cncc(-c2ccc3c(n2)c(-c2cc4c(-c5ccccc5F)cncc4n2C(=O)OC(C)(C)C)nn3C(=O)OC(C)(C)C)c1.CN(C)Cc1cncc(-c2ccc3c(n2)c(I)nn3C(=O)OC(C)(C)C)c1.CN(C)Cc1cncc(-c2ccc3n[nH]c(I)c3n2)c1.CN(C)Cc1cncc(Br)c1.I[V](I)I.[CH3-].
What is the InChIKey of 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?
The InChIKey is HNPDYMLMMUZPSD-UHFFFAOYSA-K. The full InChI is InChI=1S/C37H38FN7O4.C27H22FN7.C19H22IN5O2.C19H23N5O.C18H18BFN2O4.C14H14IN5.C14H15N5.C11H12N3O.C8H11BrN2.3C4H9.CH3.3HI.Sn.V/c1-36(2,3)48-34(46)44-30(16-25-26(19-40-20-31(25)44)24-11-9-10-12-27(24)38)33-32-29(45(42-33)35(47)49-37(4,5)6)14-13-28(41-32)23-15-22(17-39-18-23)21-43(7)8;1-35(2)15-16-9-17(12-29-11-16)22-7-8-23-26(32-22)27(34-33-23)24-10-19-20(13-30-14-25(19)31-24)18-5-3-4-6-21(18)28;1-19(2,3)27-18(26)25-15-7-6-14(22-16(15)17(20)23-25)13-8-12(9-21-10-13)11-24(4)5;1-23(2)13-14-9-15(11-20-10-14)16-6-7-18-17(22-16)12-21-24(18)19-5-3-4-8-25-19;1-18(2,3)26-17(23)22-15-10-21-9-13(11-6-4-5-7-14(11)20)12(15)8-16(22)19(24)25;1-20(2)8-9-5-10(7-16-6-9)11-3-4-12-13(17-11)14(15)19-18-12;1-19(2)9-10-5-11(7-15-6-10)12-3-4-13-14(17-12)8-16-18-13;1-2-7-15-11(5-1)14-10-4-3-6-12-9(10)8-13-14;1-11(2)6-7-3-8(9)5-10-4-7;3*1-3-4-2;;;;;;/h9-20H,21H2,1-8H3;3-14,31H,15H2,1-2H3,(H,33,34);6-10H,11H2,1-5H3;6-7,9-12,19H,3-5,8,13H2,1-2H3;4-10,24-25H,1-3H3;3-7H,8H2,1-2H3,(H,18,19);3-8H,9H2,1-2H3,(H,16,18);3-4,8,11H,1-2,5,7H2;3-5H,6H2,1-2H3;3*1,3-4H2,2H3;1H3;3*1H;;/q;;;;;;;;;;;;-1;;;;;+3/p-3.
What are the key properties of 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?
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 has a molecular weight of 4086.78 g/mol, XLogP of 38.84, 38 rotatable bonds, 6 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158136759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).