2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-7-(1,4-dimethylpyrrol-3-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine;[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

C113H126N24O10S4 — CID 161032425

IUPAC2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-7-(1,4-dimethylpyrrol-3-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine;[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESCCCCS(=O)c1cc2nc(-c3ccc(OC)cc3)cc(-c3c(C)nn(C)c3C)n2n1.CCCCS(=O)c1cc2nc(-c3ccc(OC)cc3)cc(-c3ccnn3C)n2n1.CCCCS(=O)c1cc2nc(-c3ccc(OC)cc3)cc(-c3cn(C)cc3C)n2n1.CCCCS(=O)c1cc2nc(-c3ccc(OC)cc3)cc(-c3cnc(C)n3C)n2n1.COc1ccc(-c2cc(-c3cccn3C)n3nc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/C24H25N5O2.C23H27N5O2S.C23H26N4O2S.C22H25N5O2S.C21H23N5O2S/c1-27-12-6-7-21(27)22-15-19(17-8-10-18(31-2)11-9-17)25-23-16-20(26-29(22)23)24(30)28-13-4-3-5-14-28;1-6-7-12-31(29)22-14-21-24-19(17-8-10-18(30-5)11-9-17)13-20(28(21)26-22)23-15(2)25-27(4)16(23)3;1-5-6-11-30(28)23-13-22-24-20(17-7-9-18(29-4)10-8-17)12-21(27(22)25-23)19-15-26(3)14-16(19)2;1-5-6-11-30(28)22-13-21-24-18(16-7-9-17(29-4)10-8-16)12-19(27(21)25-22)20-14-23-15(2)26(20)3;1-4-5-12-29(27)21-14-20-23-17(15-6-8-16(28-3)9-7-15)13-19(26(20)24-21)18-10-11-22-25(18)2/h6-12,15-16H,3-5,13-14H2,1-2H3;8-11,13-14H,6-7,12H2,1-5H3;7-10,12-15H,5-6,11H2,1-4H3;7-10,12-14H,5-6,11H2,1-4H3;6-11,13-14H,4-5,12H2,1-3H3
InChIKeyTZUJRLVZRQDNDH-UHFFFAOYSA-N
MW2108.68 g/mol
LogP20.73
Rot. Bonds32

About 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-7-(1,4-dimethylpyrrol-3-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine;[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone

2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-7-(1,4-dimethylpyrrol-3-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine;[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (PubChem CID 161032425) has the molecular formula C113H126N24O10S4 and a molecular weight of 2108.68 g/mol. Its IUPAC name is 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-7-(1,4-dimethylpyrrol-3-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine;[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-7-(1,4-dimethylpyrrol-3-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine;[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
PubChem CID161032425
Molecular FormulaC113H126N24O10S4
Molecular Weight2108.68 g/mol
Exact Mass2106.90
IUPAC Name2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-7-(1,4-dimethylpyrrol-3-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine;[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone
SMILESCCCCS(=O)c1cc2nc(-c3ccc(OC)cc3)cc(-c3c(C)nn(C)c3C)n2n1.CCCCS(=O)c1cc2nc(-c3ccc(OC)cc3)cc(-c3ccnn3C)n2n1.CCCCS(=O)c1cc2nc(-c3ccc(OC)cc3)cc(-c3cn(C)cc3C)n2n1.CCCCS(=O)c1cc2nc(-c3ccc(OC)cc3)cc(-c3cnc(C)n3C)n2n1.COc1ccc(-c2cc(-c3cccn3C)n3nc(C(=O)N4CCCCC4)cc3n2)cc1
InChIInChI=1S/C24H25N5O2.C23H27N5O2S.C23H26N4O2S.C22H25N5O2S.C21H23N5O2S/c1-27-12-6-7-21(27)22-15-19(17-8-10-18(31-2)11-9-17)25-23-16-20(26-29(22)23)24(30)28-13-4-3-5-14-28;1-6-7-12-31(29)22-14-21-24-19(17-8-10-18(30-5)11-9-17)13-20(28(21)26-22)23-15(2)25-27(4)16(23)3;1-5-6-11-30(28)23-13-22-24-20(17-7-9-18(29-4)10-8-17)12-21(27(22)25-23)19-15-26(3)14-16(19)2;1-5-6-11-30(28)22-13-21-24-18(16-7-9-17(29-4)10-8-16)12-19(27(21)25-22)20-14-23-15(2)26(20)3;1-4-5-12-29(27)21-14-20-23-17(15-6-8-16(28-3)9-7-15)13-19(26(20)24-21)18-10-11-22-25(18)2/h6-12,15-16H,3-5,13-14H2,1-2H3;8-11,13-14H,6-7,12H2,1-5H3;7-10,12-15H,5-6,11H2,1-4H3;7-10,12-14H,5-6,11H2,1-4H3;6-11,13-14H,4-5,12H2,1-3H3
InChIKeyTZUJRLVZRQDNDH-UHFFFAOYSA-N
XLogP20.73
TPSA349.01 Ų
H-Bond Donors
H-Bond Acceptors33
Rotatable Bonds32
Heavy Atoms151
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002108.68
LogP ≤ 520.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1033

Analyze 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-7-(1,4-dimethylpyrrol-3-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine;[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone with MolForge

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Related Compounds

[5-(4-Fluorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-methylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-phenylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(1-methylpyrazol-4-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[5-piperidin-1-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-pyrimidin-5-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 157202689
2-Butylsulfinyl-5-(4-methoxyphenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidine;[5-(4-methylphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;(6-phenylpyrazolo[1,5-a]pyrimidin-2-yl)-piperidin-1-ylmethanone
CID 157579262
2-[2-(difluoromethoxy)phenyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(difluoromethyl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(dimethylamino)phenyl]-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 158318714
8-[4-[(3,3-Difluoroazetidin-1-yl)methyl]phenyl]-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;8-(4-ethylsulfonylphenyl)-5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-(4-propan-2-ylsulfonylphenyl)-[1,2,4]triazolo[4,3-a]pyridine;5-[2-(2-methoxyphenyl)ethyl]-8-pyrimidin-5-yl-[1,2,4]triazolo[4,3-a]pyridine;1-[[4-[5-[2-(2-methoxyphenyl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]phenyl]methyl]pyrrolidin-2-one
CID 159254061
2-Butylsulfinyl-5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-phenyl-[1,2,4]triazolo[1,5-a]pyrimidine;[5-(4-chlorophenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;(3,5-dimethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[5-thiophen-2-yl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 159651462
2-[2-(3-Fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(2-methyl-1,3-thiazol-4-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 159706096
2-Butylsulfinyl-5-(4-methoxyphenyl)-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidine;2-[2-butylsulfinyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole;2-[2-butylsulfinyl-7-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-5-yl]-1,3-thiazole;(3-ethylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;(4-fluoro-4-methylpiperidin-1-yl)-[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 160086902
1-[4-[4-(Difluoromethyl)-5-methyl-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]ethanone;2-[2-(3-fluorophenyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl]-1-[1-methyl-4-[4-(trifluoromethyl)-1,3-thiazol-2-yl]pyrazol-5-yl]ethanone;1-[4-(6-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(6-methyl-2-pyridinyl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone;1-[1-methyl-4-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazol-5-yl]-2-(2-phenyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-yl)ethanone
CID 160463296
[5-(4-Methoxyphenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(4-methoxypiperidin-1-yl)methanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(2-methylpiperidin-1-yl)methanone;[5-(4-methoxyphenyl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]-(3-methylpiperidin-1-yl)methanone
CID 160550287
[5-(4-Methoxyphenyl)-7-piperidin-1-ylpyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone;piperidin-1-yl-[5-(1,3-thiazol-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-(6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-2-yl)methanone;piperidin-1-yl-[7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]methanone;piperidin-1-yl-[7-(trifluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]methanone
CID 161612182
2-[2-(difluoromethoxy)phenyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-[2-(difluoromethoxy)-3-pyridinyl]-7-[[4-(3-fluoropyrazol-1-yl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[4-(difluoromethyl)-1-methylimidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[2,6-difluoro-4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-methylsulfinylphenyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 167568514
2-[5-[4-[2-[5-[4-[2-Butylsulfinyl-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentylsulfinyl]-7-pyrimidin-5-ylpyrazolo[1,5-a]pyrimidin-5-yl]phenoxy]pentylsulfinyl]-5-(4-methoxyphenyl)-7-pyridin-3-ylpyrazolo[1,5-a]pyrimidine
CID 135300260

Frequently Asked Questions

What is the IUPAC name of 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-7-(1,4-dimethylpyrrol-3-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine;[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The IUPAC name of 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-7-(1,4-dimethylpyrrol-3-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine;[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone (CID 161032425) is 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-7-(1,4-dimethylpyrrol-3-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine;[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-7-(1,4-dimethylpyrrol-3-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine;[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The canonical SMILES for 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-7-(1,4-dimethylpyrrol-3-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine;[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is CCCCS(=O)c1cc2nc(-c3ccc(OC)cc3)cc(-c3c(C)nn(C)c3C)n2n1.CCCCS(=O)c1cc2nc(-c3ccc(OC)cc3)cc(-c3ccnn3C)n2n1.CCCCS(=O)c1cc2nc(-c3ccc(OC)cc3)cc(-c3cn(C)cc3C)n2n1.CCCCS(=O)c1cc2nc(-c3ccc(OC)cc3)cc(-c3cnc(C)n3C)n2n1.COc1ccc(-c2cc(-c3cccn3C)n3nc(C(=O)N4CCCCC4)cc3n2)cc1.
What is the InChIKey of 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-7-(1,4-dimethylpyrrol-3-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine;[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
The InChIKey is TZUJRLVZRQDNDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O2.C23H27N5O2S.C23H26N4O2S.C22H25N5O2S.C21H23N5O2S/c1-27-12-6-7-21(27)22-15-19(17-8-10-18(31-2)11-9-17)25-23-16-20(26-29(22)23)24(30)28-13-4-3-5-14-28;1-6-7-12-31(29)22-14-21-24-19(17-8-10-18(30-5)11-9-17)13-20(28(21)26-22)23-15(2)25-27(4)16(23)3;1-5-6-11-30(28)23-13-22-24-20(17-7-9-18(29-4)10-8-17)12-21(27(22)25-23)19-15-26(3)14-16(19)2;1-5-6-11-30(28)22-13-21-24-18(16-7-9-17(29-4)10-8-16)12-19(27(21)25-22)20-14-23-15(2)26(20)3;1-4-5-12-29(27)21-14-20-23-17(15-6-8-16(28-3)9-7-15)13-19(26(20)24-21)18-10-11-22-25(18)2/h6-12,15-16H,3-5,13-14H2,1-2H3;8-11,13-14H,6-7,12H2,1-5H3;7-10,12-15H,5-6,11H2,1-4H3;7-10,12-14H,5-6,11H2,1-4H3;6-11,13-14H,4-5,12H2,1-3H3.
What are the key properties of 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-7-(1,4-dimethylpyrrol-3-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine;[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone?
2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-7-(1,4-dimethylpyrrol-3-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine;[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone has a molecular weight of 2108.68 g/mol, XLogP of 20.73, 32 rotatable bonds, 0 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylsulfinyl-7-(2,3-dimethylimidazol-4-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-7-(1,4-dimethylpyrrol-3-yl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(2-methylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine;2-butylsulfinyl-5-(4-methoxyphenyl)-7-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine;[5-(4-methoxyphenyl)-7-(1-methylpyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-2-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 161032425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).