6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromopyrazin-2-yl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-cyclopropylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-cyclopropyl-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-cyclopropyl-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-cyclopropyl-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);2,5-dibromopyrazine;[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]boronic acid

C157H156BBr6F3N48O14S — CID 165079100

IUPAC6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromopyrazin-2-yl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-cyclopropylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-cyclopropyl-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-cyclopropyl-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-cyclopropyl-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);2,5-dibromopyrazine;[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]boronic acid
SMILESBrc1cnc(Br)cn1.Brc1cnc(N2CC3CC(C2)N3)cn1.CC(C)(C)OC(=O)N1C2CC1CN(c1cnc(Br)cn1)C2.COc1cc(Br)cn2ncc(C#N)c12.COc1cc(C2CC2)cn2ncc(C#N)c12.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(C5CC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(C5CC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(B(O)O)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(Br)cn2)C3)cn1.N#Cc1cnn2cc(C3CC3)cc(O)c12.N#Cc1cnn2cc(C3CC3)cc(OS(=O)(=O)C(F)(F)F)c12
InChIInChI=1S/2C27H26N8O.C16H20BN5O3.C16H18BrN5O.C14H19BrN4O2.C12H8F3N3O3S.C12H11N3O.C11H9N3O.C9H11BrN4.C9H6BrN3O.C4H2Br2N2/c2*1-36-26-5-2-17(9-31-26)13-34-21-7-22(34)16-33(15-21)25-12-29-24(11-30-25)23-6-19(18-3-4-18)14-35-27(23)20(8-28)10-32-35;1-25-16-3-2-11(5-20-16)8-22-12-4-13(22)10-21(9-12)15-7-18-14(6-19-15)17(23)24;1-23-16-3-2-11(5-20-16)8-22-12-4-13(22)10-21(9-12)15-7-18-14(17)6-19-15;1-14(2,3)21-13(20)19-9-4-10(19)8-18(7-9)12-6-16-11(15)5-17-12;13-12(14,15)22(19,20)21-10-3-8(7-1-2-7)6-18-11(10)9(4-16)5-17-18;1-16-11-4-9(8-2-3-8)7-15-12(11)10(5-13)6-14-15;12-4-9-5-13-14-6-8(7-1-2-7)3-10(15)11(9)14;10-8-2-12-9(3-11-8)14-4-6-1-7(5-14)13-6;1-14-8-2-7(10)5-13-9(8)6(3-11)4-12-13;5-3-1-7-4(6)2-8-3/h2*2,5-6,9-12,14,18,21-22H,3-4,7,13,15-16H2,1H3;2-3,5-7,12-13,23-24H,4,8-10H2,1H3;2-3,5-7,12-13H,4,8-10H2,1H3;5-6,9-10H,4,7-8H2,1-3H3;3,5-7H,1-2H2;4,6-8H,2-3H2,1H3;3,5-7,15H,1-2H2;2-3,6-7,13H,1,4-5H2;2,4-5H,1H3;1-2H
InChIKeyUUZMOTKPRGLDCW-UHFFFAOYSA-N
MW3518.59 g/mol
LogP21.34
Rot. Bonds30

About 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromopyrazin-2-yl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-cyclopropylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-cyclopropyl-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-cyclopropyl-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-cyclopropyl-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);2,5-dibromopyrazine;[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]boronic acid

6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromopyrazin-2-yl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-cyclopropylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-cyclopropyl-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-cyclopropyl-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-cyclopropyl-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);2,5-dibromopyrazine;[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]boronic acid (PubChem CID 165079100) has the molecular formula C157H156BBr6F3N48O14S and a molecular weight of 3518.59 g/mol. Its IUPAC name is 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromopyrazin-2-yl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-cyclopropylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-cyclopropyl-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-cyclopropyl-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-cyclopropyl-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);2,5-dibromopyrazine;[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]boronic acid.

Molecular Properties

Compound Name6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromopyrazin-2-yl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-cyclopropylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-cyclopropyl-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-cyclopropyl-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-cyclopropyl-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);2,5-dibromopyrazine;[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]boronic acid
PubChem CID165079100
Molecular FormulaC157H156BBr6F3N48O14S
Molecular Weight3518.59 g/mol
Exact Mass3510.78
IUPAC Name6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromopyrazin-2-yl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-cyclopropylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-cyclopropyl-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-cyclopropyl-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-cyclopropyl-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);2,5-dibromopyrazine;[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]boronic acid
SMILESBrc1cnc(Br)cn1.Brc1cnc(N2CC3CC(C2)N3)cn1.CC(C)(C)OC(=O)N1C2CC1CN(c1cnc(Br)cn1)C2.COc1cc(Br)cn2ncc(C#N)c12.COc1cc(C2CC2)cn2ncc(C#N)c12.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(C5CC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(C5CC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(B(O)O)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(Br)cn2)C3)cn1.N#Cc1cnn2cc(C3CC3)cc(O)c12.N#Cc1cnn2cc(C3CC3)cc(OS(=O)(=O)C(F)(F)F)c12
InChIInChI=1S/2C27H26N8O.C16H20BN5O3.C16H18BrN5O.C14H19BrN4O2.C12H8F3N3O3S.C12H11N3O.C11H9N3O.C9H11BrN4.C9H6BrN3O.C4H2Br2N2/c2*1-36-26-5-2-17(9-31-26)13-34-21-7-22(34)16-33(15-21)25-12-29-24(11-30-25)23-6-19(18-3-4-18)14-35-27(23)20(8-28)10-32-35;1-25-16-3-2-11(5-20-16)8-22-12-4-13(22)10-21(9-12)15-7-18-14(6-19-15)17(23)24;1-23-16-3-2-11(5-20-16)8-22-12-4-13(22)10-21(9-12)15-7-18-14(17)6-19-15;1-14(2,3)21-13(20)19-9-4-10(19)8-18(7-9)12-6-16-11(15)5-17-12;13-12(14,15)22(19,20)21-10-3-8(7-1-2-7)6-18-11(10)9(4-16)5-17-18;1-16-11-4-9(8-2-3-8)7-15-12(11)10(5-13)6-14-15;12-4-9-5-13-14-6-8(7-1-2-7)3-10(15)11(9)14;10-8-2-12-9(3-11-8)14-4-6-1-7(5-14)13-6;1-14-8-2-7(10)5-13-9(8)6(3-11)4-12-13;5-3-1-7-4(6)2-8-3/h2*2,5-6,9-12,14,18,21-22H,3-4,7,13,15-16H2,1H3;2-3,5-7,12-13,23-24H,4,8-10H2,1H3;2-3,5-7,12-13H,4,8-10H2,1H3;5-6,9-10H,4,7-8H2,1-3H3;3,5-7H,1-2H2;4,6-8H,2-3H2,1H3;3,5-7,15H,1-2H2;2-3,6-7,13H,1,4-5H2;2,4-5H,1H3;1-2H
InChIKeyUUZMOTKPRGLDCW-UHFFFAOYSA-N
XLogP21.34
TPSA711.97 Ų
H-Bond Donors4
H-Bond Acceptors61
Rotatable Bonds30
Heavy Atoms230
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003518.59
LogP ≤ 521.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1061

Computed Properties (RDKit)

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

Analyze 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromopyrazin-2-yl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-cyclopropylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-cyclopropyl-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-cyclopropyl-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-cyclopropyl-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);2,5-dibromopyrazine;[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]boronic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromopyrazin-2-yl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-cyclopropylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-cyclopropyl-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-cyclopropyl-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-cyclopropyl-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);2,5-dibromopyrazine;[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]boronic acid?
The IUPAC name of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromopyrazin-2-yl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-cyclopropylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-cyclopropyl-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-cyclopropyl-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-cyclopropyl-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);2,5-dibromopyrazine;[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]boronic acid (CID 165079100) is 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromopyrazin-2-yl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-cyclopropylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-cyclopropyl-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-cyclopropyl-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-cyclopropyl-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);2,5-dibromopyrazine;[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]boronic acid.
What is the SMILES notation for 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromopyrazin-2-yl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-cyclopropylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-cyclopropyl-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-cyclopropyl-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-cyclopropyl-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);2,5-dibromopyrazine;[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]boronic acid?
The canonical SMILES for 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromopyrazin-2-yl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-cyclopropylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-cyclopropyl-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-cyclopropyl-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-cyclopropyl-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);2,5-dibromopyrazine;[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]boronic acid is Brc1cnc(Br)cn1.Brc1cnc(N2CC3CC(C2)N3)cn1.CC(C)(C)OC(=O)N1C2CC1CN(c1cnc(Br)cn1)C2.COc1cc(Br)cn2ncc(C#N)c12.COc1cc(C2CC2)cn2ncc(C#N)c12.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(C5CC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(-c4cc(C5CC5)cn5ncc(C#N)c45)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(B(O)O)cn2)C3)cn1.COc1ccc(CN2C3CC2CN(c2cnc(Br)cn2)C3)cn1.N#Cc1cnn2cc(C3CC3)cc(O)c12.N#Cc1cnn2cc(C3CC3)cc(OS(=O)(=O)C(F)(F)F)c12.
What is the InChIKey of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromopyrazin-2-yl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-cyclopropylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-cyclopropyl-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-cyclopropyl-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-cyclopropyl-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);2,5-dibromopyrazine;[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]boronic acid?
The InChIKey is UUZMOTKPRGLDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H26N8O.C16H20BN5O3.C16H18BrN5O.C14H19BrN4O2.C12H8F3N3O3S.C12H11N3O.C11H9N3O.C9H11BrN4.C9H6BrN3O.C4H2Br2N2/c2*1-36-26-5-2-17(9-31-26)13-34-21-7-22(34)16-33(15-21)25-12-29-24(11-30-25)23-6-19(18-3-4-18)14-35-27(23)20(8-28)10-32-35;1-25-16-3-2-11(5-20-16)8-22-12-4-13(22)10-21(9-12)15-7-18-14(6-19-15)17(23)24;1-23-16-3-2-11(5-20-16)8-22-12-4-13(22)10-21(9-12)15-7-18-14(17)6-19-15;1-14(2,3)21-13(20)19-9-4-10(19)8-18(7-9)12-6-16-11(15)5-17-12;13-12(14,15)22(19,20)21-10-3-8(7-1-2-7)6-18-11(10)9(4-16)5-17-18;1-16-11-4-9(8-2-3-8)7-15-12(11)10(5-13)6-14-15;12-4-9-5-13-14-6-8(7-1-2-7)3-10(15)11(9)14;10-8-2-12-9(3-11-8)14-4-6-1-7(5-14)13-6;1-14-8-2-7(10)5-13-9(8)6(3-11)4-12-13;5-3-1-7-4(6)2-8-3/h2*2,5-6,9-12,14,18,21-22H,3-4,7,13,15-16H2,1H3;2-3,5-7,12-13,23-24H,4,8-10H2,1H3;2-3,5-7,12-13H,4,8-10H2,1H3;5-6,9-10H,4,7-8H2,1-3H3;3,5-7H,1-2H2;4,6-8H,2-3H2,1H3;3,5-7,15H,1-2H2;2-3,6-7,13H,1,4-5H2;2,4-5H,1H3;1-2H.
What are the key properties of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromopyrazin-2-yl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-cyclopropylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-cyclopropyl-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-cyclopropyl-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-cyclopropyl-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);2,5-dibromopyrazine;[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]boronic acid?
6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromopyrazin-2-yl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-cyclopropylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-cyclopropyl-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-cyclopropyl-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-cyclopropyl-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);2,5-dibromopyrazine;[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]boronic acid has a molecular weight of 3518.59 g/mol, XLogP of 21.34, 30 rotatable bonds, 4 hydrogen bond donors, and 61 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane;3-(5-bromopyrazin-2-yl)-6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptane;tert-butyl 3-(5-bromopyrazin-2-yl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate;(3-cyano-6-cyclopropylpyrazolo[1,5-a]pyridin-4-yl) trifluoromethanesulfonate;6-cyclopropyl-4-hydroxypyrazolo[1,5-a]pyridine-3-carbonitrile;6-cyclopropyl-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;bis(6-cyclopropyl-4-[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile);2,5-dibromopyrazine;[5-[6-[(6-methoxy-3-pyridinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]pyrazin-2-yl]boronic acid is sourced from PubChem (CID 165079100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).