5-bromo-2-fluoropyridine;6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromo-2-pyridinyl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-morpholin-4-ylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;4-hydroxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]boronic acid;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)

C169H178BBr5F4N46O19S — CID 164989092

IUPAC5-bromo-2-fluoropyridine;6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromo-2-pyridinyl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-morpholin-4-ylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;4-hydroxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]boronic acid;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)
SMILESBrc1ccc(N2CC3CC(C2)N3)nc1.CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(Br)cn1)C2.COc1cc(Br)cn2ncc(C#N)c12.COc1cc(N2CCOCC2)cn2ncc(C#N)c12.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCOCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCOCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(B(O)O)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(Br)cn2)C3)cn1.Fc1ccc(Br)cn1.N#Cc1cnn2cc(N3CCOCC3)cc(O)c12.N#Cc1cnn2cc(N3CCOCC3)cc(OS(=O)(=O)C(F)(F)F)c12
InChIInChI=1S/2C29H30N8O2.C17H21BN4O3.C17H19BrN4O.C15H20BrN3O2.C13H11F3N4O4S.C13H14N4O2.C12H12N4O2.C10H12BrN3.C9H6BrN3O.C5H3BrFN/c2*1-38-28-5-2-20(13-32-28)16-36-24-10-25(36)18-35(17-24)27-4-3-21(14-31-27)26-11-23(34-6-8-39-9-7-34)19-37-29(26)22(12-30)15-33-37;1-25-17-5-2-12(7-20-17)9-22-14-6-15(22)11-21(10-14)16-4-3-13(8-19-16)18(23)24;1-23-17-5-2-12(7-20-17)9-22-14-6-15(22)11-21(10-14)16-4-3-13(18)8-19-16;1-15(2,3)21-14(20)19-11-6-12(19)9-18(8-11)13-5-4-10(16)7-17-13;14-13(15,16)25(21,22)24-11-5-10(19-1-3-23-4-2-19)8-20-12(11)9(6-17)7-18-20;1-18-12-6-11(16-2-4-19-5-3-16)9-17-13(12)10(7-14)8-15-17;13-6-9-7-14-16-8-10(5-11(17)12(9)16)15-1-3-18-4-2-15;11-7-1-2-10(12-4-7)14-5-8-3-9(6-14)13-8;1-14-8-2-7(10)5-13-9(8)6(3-11)4-12-13;6-4-1-2-5(7)8-3-4/h2*2-5,11,13-15,19,24-25H,6-10,16-18H2,1H3;2-5,7-8,14-15,23-24H,6,9-11H2,1H3;2-5,7-8,14-15H,6,9-11H2,1H3;4-5,7,11-12H,6,8-9H2,1-3H3;5,7-8H,1-4H2;6,8-9H,2-5H2,1H3;5,7-8,17H,1-4H2;1-2,4,8-9,13H,3,5-6H2;2,4-5H,1H3;1-3H
InChIKeyGPFMRAHISCUYRN-UHFFFAOYSA-N
MW3675.98 g/mol
LogP19.75
Rot. Bonds30

About 5-bromo-2-fluoropyridine;6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromo-2-pyridinyl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-morpholin-4-ylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;4-hydroxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]boronic acid;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)

5-bromo-2-fluoropyridine;6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromo-2-pyridinyl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-morpholin-4-ylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;4-hydroxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]boronic acid;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile) (PubChem CID 164989092) has the molecular formula C169H178BBr5F4N46O19S and a molecular weight of 3675.98 g/mol. Its IUPAC name is 5-bromo-2-fluoropyridine;6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromo-2-pyridinyl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-morpholin-4-ylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;4-hydroxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]boronic acid;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile).

Molecular Properties

Compound Name5-bromo-2-fluoropyridine;6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromo-2-pyridinyl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-morpholin-4-ylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;4-hydroxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]boronic acid;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)
PubChem CID164989092
Molecular FormulaC169H178BBr5F4N46O19S
Molecular Weight3675.98 g/mol
Exact Mass3669.00
IUPAC Name5-bromo-2-fluoropyridine;6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromo-2-pyridinyl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-morpholin-4-ylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;4-hydroxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]boronic acid;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)
SMILESBrc1ccc(N2CC3CC(C2)N3)nc1.CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(Br)cn1)C2.COc1cc(Br)cn2ncc(C#N)c12.COc1cc(N2CCOCC2)cn2ncc(C#N)c12.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCOCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCOCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(B(O)O)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(Br)cn2)C3)cn1.Fc1ccc(Br)cn1.N#Cc1cnn2cc(N3CCOCC3)cc(O)c12.N#Cc1cnn2cc(N3CCOCC3)cc(OS(=O)(=O)C(F)(F)F)c12
InChIInChI=1S/2C29H30N8O2.C17H21BN4O3.C17H19BrN4O.C15H20BrN3O2.C13H11F3N4O4S.C13H14N4O2.C12H12N4O2.C10H12BrN3.C9H6BrN3O.C5H3BrFN/c2*1-38-28-5-2-20(13-32-28)16-36-24-10-25(36)18-35(17-24)27-4-3-21(14-31-27)26-11-23(34-6-8-39-9-7-34)19-37-29(26)22(12-30)15-33-37;1-25-17-5-2-12(7-20-17)9-22-14-6-15(22)11-21(10-14)16-4-3-13(8-19-16)18(23)24;1-23-17-5-2-12(7-20-17)9-22-14-6-15(22)11-21(10-14)16-4-3-13(18)8-19-16;1-15(2,3)21-14(20)19-11-6-12(19)9-18(8-11)13-5-4-10(16)7-17-13;14-13(15,16)25(21,22)24-11-5-10(19-1-3-23-4-2-19)8-20-12(11)9(6-17)7-18-20;1-18-12-6-11(16-2-4-19-5-3-16)9-17-13(12)10(7-14)8-15-17;13-6-9-7-14-16-8-10(5-11(17)12(9)16)15-1-3-18-4-2-15;11-7-1-2-10(12-4-7)14-5-8-3-9(6-14)13-8;1-14-8-2-7(10)5-13-9(8)6(3-11)4-12-13;6-4-1-2-5(7)8-3-4/h2*2-5,11,13-15,19,24-25H,6-10,16-18H2,1H3;2-5,7-8,14-15,23-24H,6,9-11H2,1H3;2-5,7-8,14-15H,6,9-11H2,1H3;4-5,7,11-12H,6,8-9H2,1-3H3;5,7-8H,1-4H2;6,8-9H,2-5H2,1H3;5,7-8,17H,1-4H2;1-2,4,8-9,13H,3,5-6H2;2,4-5H,1H3;1-3H
InChIKeyGPFMRAHISCUYRN-UHFFFAOYSA-N
XLogP19.75
TPSA684.09 Ų
H-Bond Donors4
H-Bond Acceptors64
Rotatable Bonds30
Heavy Atoms245
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003675.98
LogP ≤ 519.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1064

Computed Properties (RDKit)

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

Analyze 5-bromo-2-fluoropyridine;6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromo-2-pyridinyl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-morpholin-4-ylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;4-hydroxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]boronic acid;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile) with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoropyridine;6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromo-2-pyridinyl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-morpholin-4-ylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;4-hydroxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]boronic acid;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)?
The IUPAC name of 5-bromo-2-fluoropyridine;6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromo-2-pyridinyl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-morpholin-4-ylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;4-hydroxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]boronic acid;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile) (CID 164989092) is 5-bromo-2-fluoropyridine;6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromo-2-pyridinyl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-morpholin-4-ylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;4-hydroxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]boronic acid;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile).
What is the SMILES notation for 5-bromo-2-fluoropyridine;6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromo-2-pyridinyl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-morpholin-4-ylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;4-hydroxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]boronic acid;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)?
The canonical SMILES for 5-bromo-2-fluoropyridine;6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromo-2-pyridinyl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-morpholin-4-ylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;4-hydroxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]boronic acid;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile) is Brc1ccc(N2CC3CC(C2)N3)nc1.CC(C)(C)OC(=O)N1C2CC1CN(c1ccc(Br)cn1)C2.COc1cc(Br)cn2ncc(C#N)c12.COc1cc(N2CCOCC2)cn2ncc(C#N)c12.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCOCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(-c4cc(N5CCOCC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(B(O)O)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2ccc(Br)cn2)C3)cn1.Fc1ccc(Br)cn1.N#Cc1cnn2cc(N3CCOCC3)cc(O)c12.N#Cc1cnn2cc(N3CCOCC3)cc(OS(=O)(=O)C(F)(F)F)c12.
What is the InChIKey of 5-bromo-2-fluoropyridine;6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromo-2-pyridinyl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-morpholin-4-ylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;4-hydroxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]boronic acid;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)?
The InChIKey is GPFMRAHISCUYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/2C29H30N8O2.C17H21BN4O3.C17H19BrN4O.C15H20BrN3O2.C13H11F3N4O4S.C13H14N4O2.C12H12N4O2.C10H12BrN3.C9H6BrN3O.C5H3BrFN/c2*1-38-28-5-2-20(13-32-28)16-36-24-10-25(36)18-35(17-24)27-4-3-21(14-31-27)26-11-23(34-6-8-39-9-7-34)19-37-29(26)22(12-30)15-33-37;1-25-17-5-2-12(7-20-17)9-22-14-6-15(22)11-21(10-14)16-4-3-13(8-19-16)18(23)24;1-23-17-5-2-12(7-20-17)9-22-14-6-15(22)11-21(10-14)16-4-3-13(18)8-19-16;1-15(2,3)21-14(20)19-11-6-12(19)9-18(8-11)13-5-4-10(16)7-17-13;14-13(15,16)25(21,22)24-11-5-10(19-1-3-23-4-2-19)8-20-12(11)9(6-17)7-18-20;1-18-12-6-11(16-2-4-19-5-3-16)9-17-13(12)10(7-14)8-15-17;13-6-9-7-14-16-8-10(5-11(17)12(9)16)15-1-3-18-4-2-15;11-7-1-2-10(12-4-7)14-5-8-3-9(6-14)13-8;1-14-8-2-7(10)5-13-9(8)6(3-11)4-12-13;6-4-1-2-5(7)8-3-4/h2*2-5,11,13-15,19,24-25H,6-10,16-18H2,1H3;2-5,7-8,14-15,23-24H,6,9-11H2,1H3;2-5,7-8,14-15H,6,9-11H2,1H3;4-5,7,11-12H,6,8-9H2,1-3H3;5,7-8H,1-4H2;6,8-9H,2-5H2,1H3;5,7-8,17H,1-4H2;1-2,4,8-9,13H,3,5-6H2;2,4-5H,1H3;1-3H.
What are the key properties of 5-bromo-2-fluoropyridine;6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromo-2-pyridinyl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-morpholin-4-ylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;4-hydroxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]boronic acid;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile)?
5-bromo-2-fluoropyridine;6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromo-2-pyridinyl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-morpholin-4-ylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;4-hydroxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]boronic acid;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile) has a molecular weight of 3675.98 g/mol, XLogP of 19.75, 30 rotatable bonds, 4 hydrogen bond donors, and 64 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoropyridine;6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromo-2-pyridinyl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromo-2-pyridinyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-morpholin-4-ylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;4-hydroxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile;[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]boronic acid;bis(4-[6-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-3-pyridinyl]-6-morpholin-4-ylpyrazolo[1,5-a]pyridine-3-carbonitrile) is sourced from PubChem (CID 164989092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).