5-bromo-2-iodopyridine;tert-butyl 4-(5-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;2-methoxy-5-(methoxymethyl)pyridine;bis(4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]boronic acid;6-(1-methylpyrazol-4-yl)-4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride

C179H189B2Br2ClF3IN42O19S — CID 164959530

IUPAC5-bromo-2-iodopyridine;tert-butyl 4-(5-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;2-methoxy-5-(methoxymethyl)pyridine;bis(4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]boronic acid;6-(1-methylpyrazol-4-yl)-4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
SMILESBrc1ccc(I)nc1.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc(B(O)O)cn2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc(Br)cn2)CC1.COCc1ccc(OC)nc1.COc1ccc(CN2CC=C(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.COc1ccc(CN2CC=C(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.Cl.Cn1cc(-c2cc(-c3ccc(C4=CCN(C(=O)OC(C)(C)C)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(C4=CCNCC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(OS(=O)(=O)C(F)(F)F)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/2C29H26N8O.C27H27N7O2.C22H19N7.C16H28BNO4.C15H21BN2O4.C15H19BrN2O2.C13H8F3N5O3S.C8H11NO2.C5H3BrIN.ClH/c2*1-35-18-25(16-33-35)23-11-26(29-24(12-30)15-34-37(29)19-23)22-4-5-27(31-14-22)21-7-9-36(10-8-21)17-20-3-6-28(38-2)32-13-20;1-27(2,3)36-26(35)33-9-7-18(8-10-33)24-6-5-19(13-29-24)23-11-20(22-15-30-32(4)16-22)17-34-25(23)21(12-28)14-31-34;1-28-13-19(12-26-28)17-8-20(22-18(9-23)11-27-29(22)14-17)16-2-3-21(25-10-16)15-4-6-24-7-5-15;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-15(2,3)22-14(19)18-8-6-11(7-9-18)13-5-4-12(10-17-13)16(20)21;1-15(2,3)20-14(19)18-8-6-11(7-9-18)13-5-4-12(16)10-17-13;1-20-6-10(5-18-20)8-2-11(24-25(22,23)13(14,15)16)12-9(3-17)4-19-21(12)7-8;1-10-6-7-3-4-8(11-2)9-5-7;6-4-1-2-5(7)8-3-4;/h2*3-7,11,13-16,18-19H,8-10,17H2,1-2H3;5-7,11,13-17H,8-10H2,1-4H3;2-4,8,10-14,24H,5-7H2,1H3;8H,9-11H2,1-7H3;4-6,10,20-21H,7-9H2,1-3H3;4-6,10H,7-9H2,1-3H3;2,4-7H,1H3;3-5H,6H2,1-2H3;1-3H;1H
InChIKeyVFOZSFZAXMAOFV-UHFFFAOYSA-N
MW3665.61 g/mol
LogP30.24
Rot. Bonds28

About 5-bromo-2-iodopyridine;tert-butyl 4-(5-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;2-methoxy-5-(methoxymethyl)pyridine;bis(4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]boronic acid;6-(1-methylpyrazol-4-yl)-4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride

5-bromo-2-iodopyridine;tert-butyl 4-(5-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;2-methoxy-5-(methoxymethyl)pyridine;bis(4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]boronic acid;6-(1-methylpyrazol-4-yl)-4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride (PubChem CID 164959530) has the molecular formula C179H189B2Br2ClF3IN42O19S and a molecular weight of 3665.61 g/mol. Its IUPAC name is 5-bromo-2-iodopyridine;tert-butyl 4-(5-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;2-methoxy-5-(methoxymethyl)pyridine;bis(4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]boronic acid;6-(1-methylpyrazol-4-yl)-4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-iodopyridine;tert-butyl 4-(5-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;2-methoxy-5-(methoxymethyl)pyridine;bis(4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]boronic acid;6-(1-methylpyrazol-4-yl)-4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
PubChem CID164959530
Molecular FormulaC179H189B2Br2ClF3IN42O19S
Molecular Weight3665.61 g/mol
Exact Mass3661.21
IUPAC Name5-bromo-2-iodopyridine;tert-butyl 4-(5-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;2-methoxy-5-(methoxymethyl)pyridine;bis(4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]boronic acid;6-(1-methylpyrazol-4-yl)-4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
SMILESBrc1ccc(I)nc1.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc(B(O)O)cn2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc(Br)cn2)CC1.COCc1ccc(OC)nc1.COc1ccc(CN2CC=C(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.COc1ccc(CN2CC=C(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.Cl.Cn1cc(-c2cc(-c3ccc(C4=CCN(C(=O)OC(C)(C)C)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(C4=CCNCC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(OS(=O)(=O)C(F)(F)F)c3c(C#N)cnn3c2)cn1
InChIInChI=1S/2C29H26N8O.C27H27N7O2.C22H19N7.C16H28BNO4.C15H21BN2O4.C15H19BrN2O2.C13H8F3N5O3S.C8H11NO2.C5H3BrIN.ClH/c2*1-35-18-25(16-33-35)23-11-26(29-24(12-30)15-34-37(29)19-23)22-4-5-27(31-14-22)21-7-9-36(10-8-21)17-20-3-6-28(38-2)32-13-20;1-27(2,3)36-26(35)33-9-7-18(8-10-33)24-6-5-19(13-29-24)23-11-20(22-15-30-32(4)16-22)17-34-25(23)21(12-28)14-31-34;1-28-13-19(12-26-28)17-8-20(22-18(9-23)11-27-29(22)14-17)16-2-3-21(25-10-16)15-4-6-24-7-5-15;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-15(2,3)22-14(19)18-8-6-11(7-9-18)13-5-4-12(10-17-13)16(20)21;1-15(2,3)20-14(19)18-8-6-11(7-9-18)13-5-4-12(16)10-17-13;1-20-6-10(5-18-20)8-2-11(24-25(22,23)13(14,15)16)12-9(3-17)4-19-21(12)7-8;1-10-6-7-3-4-8(11-2)9-5-7;6-4-1-2-5(7)8-3-4;/h2*3-7,11,13-16,18-19H,8-10,17H2,1-2H3;5-7,11,13-17H,8-10H2,1-4H3;2-4,8,10-14,24H,5-7H2,1H3;8H,9-11H2,1-7H3;4-6,10,20-21H,7-9H2,1-3H3;4-6,10H,7-9H2,1-3H3;2,4-7H,1H3;3-5H,6H2,1-2H3;1-3H;1H
InChIKeyVFOZSFZAXMAOFV-UHFFFAOYSA-N
XLogP30.24
TPSA699.33 Ų
H-Bond Donors3
H-Bond Acceptors57
Rotatable Bonds28
Heavy Atoms250
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003665.61
LogP ≤ 530.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1057

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze 5-bromo-2-iodopyridine;tert-butyl 4-(5-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;2-methoxy-5-(methoxymethyl)pyridine;bis(4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]boronic acid;6-(1-methylpyrazol-4-yl)-4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-iodopyridine;tert-butyl 4-(5-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;2-methoxy-5-(methoxymethyl)pyridine;bis(4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]boronic acid;6-(1-methylpyrazol-4-yl)-4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?
The IUPAC name of 5-bromo-2-iodopyridine;tert-butyl 4-(5-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;2-methoxy-5-(methoxymethyl)pyridine;bis(4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]boronic acid;6-(1-methylpyrazol-4-yl)-4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride (CID 164959530) is 5-bromo-2-iodopyridine;tert-butyl 4-(5-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;2-methoxy-5-(methoxymethyl)pyridine;bis(4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]boronic acid;6-(1-methylpyrazol-4-yl)-4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride.
What is the SMILES notation for 5-bromo-2-iodopyridine;tert-butyl 4-(5-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;2-methoxy-5-(methoxymethyl)pyridine;bis(4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]boronic acid;6-(1-methylpyrazol-4-yl)-4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?
The canonical SMILES for 5-bromo-2-iodopyridine;tert-butyl 4-(5-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;2-methoxy-5-(methoxymethyl)pyridine;bis(4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]boronic acid;6-(1-methylpyrazol-4-yl)-4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride is Brc1ccc(I)nc1.CC(C)(C)OC(=O)N1CC=C(B2OC(C)(C)C(C)(C)O2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc(B(O)O)cn2)CC1.CC(C)(C)OC(=O)N1CC=C(c2ccc(Br)cn2)CC1.COCc1ccc(OC)nc1.COc1ccc(CN2CC=C(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.COc1ccc(CN2CC=C(c3ccc(-c4cc(-c5cnn(C)c5)cn5ncc(C#N)c45)cn3)CC2)cn1.Cl.Cn1cc(-c2cc(-c3ccc(C4=CCN(C(=O)OC(C)(C)C)CC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(-c3ccc(C4=CCNCC4)nc3)c3c(C#N)cnn3c2)cn1.Cn1cc(-c2cc(OS(=O)(=O)C(F)(F)F)c3c(C#N)cnn3c2)cn1.
What is the InChIKey of 5-bromo-2-iodopyridine;tert-butyl 4-(5-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;2-methoxy-5-(methoxymethyl)pyridine;bis(4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]boronic acid;6-(1-methylpyrazol-4-yl)-4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?
The InChIKey is VFOZSFZAXMAOFV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H26N8O.C27H27N7O2.C22H19N7.C16H28BNO4.C15H21BN2O4.C15H19BrN2O2.C13H8F3N5O3S.C8H11NO2.C5H3BrIN.ClH/c2*1-35-18-25(16-33-35)23-11-26(29-24(12-30)15-34-37(29)19-23)22-4-5-27(31-14-22)21-7-9-36(10-8-21)17-20-3-6-28(38-2)32-13-20;1-27(2,3)36-26(35)33-9-7-18(8-10-33)24-6-5-19(13-29-24)23-11-20(22-15-30-32(4)16-22)17-34-25(23)21(12-28)14-31-34;1-28-13-19(12-26-28)17-8-20(22-18(9-23)11-27-29(22)14-17)16-2-3-21(25-10-16)15-4-6-24-7-5-15;1-14(2,3)20-13(19)18-10-8-12(9-11-18)17-21-15(4,5)16(6,7)22-17;1-15(2,3)22-14(19)18-8-6-11(7-9-18)13-5-4-12(10-17-13)16(20)21;1-15(2,3)20-14(19)18-8-6-11(7-9-18)13-5-4-12(16)10-17-13;1-20-6-10(5-18-20)8-2-11(24-25(22,23)13(14,15)16)12-9(3-17)4-19-21(12)7-8;1-10-6-7-3-4-8(11-2)9-5-7;6-4-1-2-5(7)8-3-4;/h2*3-7,11,13-16,18-19H,8-10,17H2,1-2H3;5-7,11,13-17H,8-10H2,1-4H3;2-4,8,10-14,24H,5-7H2,1H3;8H,9-11H2,1-7H3;4-6,10,20-21H,7-9H2,1-3H3;4-6,10H,7-9H2,1-3H3;2,4-7H,1H3;3-5H,6H2,1-2H3;1-3H;1H.
What are the key properties of 5-bromo-2-iodopyridine;tert-butyl 4-(5-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;2-methoxy-5-(methoxymethyl)pyridine;bis(4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]boronic acid;6-(1-methylpyrazol-4-yl)-4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride?
5-bromo-2-iodopyridine;tert-butyl 4-(5-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;2-methoxy-5-(methoxymethyl)pyridine;bis(4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]boronic acid;6-(1-methylpyrazol-4-yl)-4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride has a molecular weight of 3665.61 g/mol, XLogP of 30.24, 28 rotatable bonds, 3 hydrogen bond donors, and 57 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-iodopyridine;tert-butyl 4-(5-bromo-2-pyridinyl)-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxylate;tert-butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate;[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl] trifluoromethanesulfonate;2-methoxy-5-(methoxymethyl)pyridine;bis(4-[6-[1-[(6-methoxy-3-pyridinyl)methyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile);[6-[1-[(2-methylpropan-2-yl)oxycarbonyl]-3,6-dihydro-2H-pyridin-4-yl]-3-pyridinyl]boronic acid;6-(1-methylpyrazol-4-yl)-4-[6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride is sourced from PubChem (CID 164959530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).