1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methyl]morpholine

C125H99N37O14S5 — CID 158153497

IUPAC1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methyl]morpholine
SMILESCOc1ccc(-c2ccc3ncc(S(=O)(=O)n4ncc5ncc(-c6cnn(C)c6)cc54)n3c2)cc1.Cc1ccc(-c2ccc3ncc(S(=O)(=O)n4ncc5ncc(-c6cnn(C)c6)cc54)n3c2)cc1.Cn1cc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccc(-c6ccc(C#N)cc6)cn45)c3c2)cn1.Cn1cc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccc(-c6ccc(CN7CCOCC7)cc6)cn45)c3c2)cn1.Cn1cc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccc(-c6ccc7c(c6)OCCO7)cn45)c3c2)cn1
InChIInChI=1S/C28H26N8O3S.C25H19N7O4S.C24H16N8O2S.C24H19N7O3S.C24H19N7O2S/c1-33-18-24(14-31-33)23-12-26-25(29-13-23)15-32-36(26)40(37,38)28-16-30-27-7-6-22(19-35(27)28)21-4-2-20(3-5-21)17-34-8-10-39-11-9-34;1-30-14-19(11-28-30)18-8-21-20(26-10-18)12-29-32(21)37(33,34)25-13-27-24-5-3-17(15-31(24)25)16-2-4-22-23(9-16)36-7-6-35-22;1-30-14-20(11-28-30)19-8-22-21(26-10-19)12-29-32(22)35(33,34)24-13-27-23-7-6-18(15-31(23)24)17-4-2-16(9-25)3-5-17;1-29-14-19(11-27-29)18-9-22-21(25-10-18)12-28-31(22)35(32,33)24-13-26-23-8-5-17(15-30(23)24)16-3-6-20(34-2)7-4-16;1-16-3-5-17(6-4-16)18-7-8-23-26-13-24(30(23)15-18)34(32,33)31-22-9-19(10-25-21(22)12-28-31)20-11-27-29(2)14-20/h2-7,12-16,18-19H,8-11,17H2,1H3;2-5,8-15H,6-7H2,1H3;2-8,10-15H,1H3;3-15H,1-2H3;3-15H,1-2H3
InChIKeyFVKDIAKQMTVIAT-UHFFFAOYSA-N
MW2503.75 g/mol
LogP16.71
Rot. Bonds23

About 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methyl]morpholine

1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methyl]morpholine (PubChem CID 158153497) has the molecular formula C125H99N37O14S5 and a molecular weight of 2503.75 g/mol. Its IUPAC name is 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methyl]morpholine.

Molecular Properties

Compound Name1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methyl]morpholine
PubChem CID158153497
Molecular FormulaC125H99N37O14S5
Molecular Weight2503.75 g/mol
Exact Mass2501.68
IUPAC Name1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methyl]morpholine
SMILESCOc1ccc(-c2ccc3ncc(S(=O)(=O)n4ncc5ncc(-c6cnn(C)c6)cc54)n3c2)cc1.Cc1ccc(-c2ccc3ncc(S(=O)(=O)n4ncc5ncc(-c6cnn(C)c6)cc54)n3c2)cc1.Cn1cc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccc(-c6ccc(C#N)cc6)cn45)c3c2)cn1.Cn1cc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccc(-c6ccc(CN7CCOCC7)cc6)cn45)c3c2)cn1.Cn1cc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccc(-c6ccc7c(c6)OCCO7)cn45)c3c2)cn1
InChIInChI=1S/C28H26N8O3S.C25H19N7O4S.C24H16N8O2S.C24H19N7O3S.C24H19N7O2S/c1-33-18-24(14-31-33)23-12-26-25(29-13-23)15-32-36(26)40(37,38)28-16-30-27-7-6-22(19-35(27)28)21-4-2-20(3-5-21)17-34-8-10-39-11-9-34;1-30-14-19(11-28-30)18-8-21-20(26-10-18)12-29-32(21)37(33,34)25-13-27-24-5-3-17(15-31(24)25)16-2-4-22-23(9-16)36-7-6-35-22;1-30-14-20(11-28-30)19-8-22-21(26-10-19)12-29-32(22)35(33,34)24-13-27-23-7-6-18(15-31(23)24)17-4-2-16(9-25)3-5-17;1-29-14-19(11-27-29)18-9-22-21(25-10-18)12-28-31(22)35(32,33)24-13-26-23-8-5-17(15-30(23)24)16-3-6-20(34-2)7-4-16;1-16-3-5-17(6-4-16)18-7-8-23-26-13-24(30(23)15-18)34(32,33)31-22-9-19(10-25-21(22)12-28-31)20-11-27-29(2)14-20/h2-7,12-16,18-19H,8-11,17H2,1H3;2-5,8-15H,6-7H2,1H3;2-8,10-15H,1H3;3-15H,1-2H3;3-15H,1-2H3
InChIKeyFVKDIAKQMTVIAT-UHFFFAOYSA-N
XLogP16.71
TPSA563.80 Ų
H-Bond Donors
H-Bond Acceptors51
Rotatable Bonds23
Heavy Atoms181
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002503.75
LogP ≤ 516.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1051

Analyze 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methyl]morpholine with MolForge

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Related Compounds

1-[6-(3,4-Dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
CID 117796541
6-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfonylpyrazolo[4,5-b]pyridine
CID 117797154
1-[6-(2,3-Dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
CID 117797762
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-methanimidoyl-5-(1-methylpyrazol-4-yl)-3-pyridinyl]imidazo[1,2-a]pyridine-3-sulfonamide
CID 146638978
1-[6-(2,3-Dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfinyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
CID 146639407
6-(2,3-Dihydro-1,4-benzodioxin-6-yl)-1-imidazo[1,2-a]pyridin-3-ylsulfinylpyrazolo[4,5-b]pyridine
CID 146639545
5-(2,3-Dihydro-1,4-benzodioxin-6-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[[3-(2-imidazol-1-ylethoxy)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;2-[[4-(3-imidazol-1-ylpropyl)phenyl]methyl]-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridine;5-(1-methylpyrazol-4-yl)-2-[[4-(3-pyrrolidin-1-ylpropyl)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 157840140
3-[1-(benzenesulfonyl)pyrazol-4-yl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrolo[2,3-b]pyridine;5-(2,3-dihydro-1-benzofuran-5-yl)-3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine;3-(2-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(3-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;3-(4-fluorophenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;4-[3-(3-fluorophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylaniline;3-(2-methoxyphenyl)-5-(2-phenoxyphenyl)-1H-pyrrolo[2,3-b]pyridine;5-(2-phenoxyphenyl)-3-phenyl-1H-pyrrolo[2,3-b]pyridine;4-[3-(1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-5-yl]morpholine
CID 159032688
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine;2-[3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]phenoxy]-N,N-diethylethanamine;2-[[4-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]-2-pyridinyl]oxy]-N,N-dimethylethanamine;3-[5-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl]pyrimidin-2-yl]-N,N-dimethylpropan-1-amine
CID 159106328
1-[6-(1,3-Benzodioxol-5-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(2-fluoro-4-pyridinyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(6-fluoro-3-pyridinyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(2-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine
CID 159161324
1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridine;1-(1,2-dimethylimidazol-4-yl)sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole;1-(1,2-dimethylimidazol-4-yl)sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indazole
CID 159499015
1-[6-(2,3-Dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methyl]morpholine;6-(1-methylpyrazol-4-yl)-1-[6-(3,4,5-trifluorophenyl)imidazo[1,2-a]pyridin-3-yl]sulfonylpyrazolo[4,5-b]pyridine
CID 159585962

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methyl]morpholine?
The IUPAC name of 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methyl]morpholine (CID 158153497) is 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methyl]morpholine.
What is the SMILES notation for 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methyl]morpholine?
The canonical SMILES for 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methyl]morpholine is COc1ccc(-c2ccc3ncc(S(=O)(=O)n4ncc5ncc(-c6cnn(C)c6)cc54)n3c2)cc1.Cc1ccc(-c2ccc3ncc(S(=O)(=O)n4ncc5ncc(-c6cnn(C)c6)cc54)n3c2)cc1.Cn1cc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccc(-c6ccc(C#N)cc6)cn45)c3c2)cn1.Cn1cc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccc(-c6ccc(CN7CCOCC7)cc6)cn45)c3c2)cn1.Cn1cc(-c2cnc3cnn(S(=O)(=O)c4cnc5ccc(-c6ccc7c(c6)OCCO7)cn45)c3c2)cn1.
What is the InChIKey of 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methyl]morpholine?
The InChIKey is FVKDIAKQMTVIAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26N8O3S.C25H19N7O4S.C24H16N8O2S.C24H19N7O3S.C24H19N7O2S/c1-33-18-24(14-31-33)23-12-26-25(29-13-23)15-32-36(26)40(37,38)28-16-30-27-7-6-22(19-35(27)28)21-4-2-20(3-5-21)17-34-8-10-39-11-9-34;1-30-14-19(11-28-30)18-8-21-20(26-10-18)12-29-32(21)37(33,34)25-13-27-24-5-3-17(15-31(24)25)16-2-4-22-23(9-16)36-7-6-35-22;1-30-14-20(11-28-30)19-8-22-21(26-10-19)12-29-32(22)35(33,34)24-13-27-23-7-6-18(15-31(23)24)17-4-2-16(9-25)3-5-17;1-29-14-19(11-27-29)18-9-22-21(25-10-18)12-28-31(22)35(32,33)24-13-26-23-8-5-17(15-30(23)24)16-3-6-20(34-2)7-4-16;1-16-3-5-17(6-4-16)18-7-8-23-26-13-24(30(23)15-18)34(32,33)31-22-9-19(10-25-21(22)12-28-31)20-11-27-29(2)14-20/h2-7,12-16,18-19H,8-11,17H2,1H3;2-5,8-15H,6-7H2,1H3;2-8,10-15H,1H3;3-15H,1-2H3;3-15H,1-2H3.
What are the key properties of 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methyl]morpholine?
1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methyl]morpholine has a molecular weight of 2503.75 g/mol, XLogP of 16.71, 23 rotatable bonds, 0 hydrogen bond donors, and 51 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,3-dihydro-1,4-benzodioxin-6-yl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methoxyphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;1-[6-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]sulfonyl-6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridine;4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]benzonitrile;4-[[4-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[4,5-b]pyridin-1-yl]sulfonylimidazo[1,2-a]pyridin-6-yl]phenyl]methyl]morpholine is sourced from PubChem (CID 158153497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).