2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]pyridine;2-[4-[2-(4-ethylsulfonylphenyl)-4-pyridinyl]-1H-pyrazol-5-yl]-6-methylpyridine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine

C146H135N29O7S — CID 158928198

IUPAC2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]pyridine;2-[4-[2-(4-ethylsulfonylphenyl)-4-pyridinyl]-1H-pyrazol-5-yl]-6-methylpyridine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine
SMILESCCS(=O)(=O)c1ccc(-c2cc(-c3cn[nH]c3-c3cccc(C)n3)ccn2)cc1.Cc1cccc(-c2[nH]ncc2-c2ccc(O)cc2)n1.Cc1cccc(-c2[nH]ncc2-c2ccnc(-c3ccc(CN4CCCC4)cc3)c2)n1.Cc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1.Cc1cccc(-c2cn[nH]c2-c2ccnc(-c3ccc(CN4CCOCC4)cc3)c2)n1.Cc1cccc(-c2cn[nH]c2-c2ccnc(-c3ccc(OCCN4CCCC4)cc3)c2)n1.c1ccc(-c2[nH]ncc2-c2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C26H27N5O.C25H25N5O.C25H25N5.C22H20N4O2S.C18H14N4.C15H11N3O2.C15H13N3O/c1-19-5-4-6-24(29-19)23-18-28-30-26(23)21-11-12-27-25(17-21)20-7-9-22(10-8-20)32-16-15-31-13-2-3-14-31;1-18-3-2-4-23(28-18)22-16-27-29-25(22)21-9-10-26-24(15-21)20-7-5-19(6-8-20)17-30-11-13-31-14-12-30;1-18-5-4-6-23(28-18)25-22(16-27-29-25)21-11-12-26-24(15-21)20-9-7-19(8-10-20)17-30-13-2-3-14-30;1-3-29(27,28)18-9-7-16(8-10-18)21-13-17(11-12-23-21)19-14-24-26-22(19)20-6-4-5-15(2)25-20;1-12-5-4-8-17(21-12)18-15(11-20-22-18)13-9-10-19-16-7-3-2-6-14(13)16;1-2-6-16-12(3-1)15-11(8-17-18-15)10-4-5-13-14(7-10)20-9-19-13;1-10-3-2-4-14(17-10)15-13(9-16-18-15)11-5-7-12(19)8-6-11/h4-12,17-18H,2-3,13-16H2,1H3,(H,28,30);2-10,15-16H,11-14,17H2,1H3,(H,27,29);4-12,15-16H,2-3,13-14,17H2,1H3,(H,27,29);4-14H,3H2,1-2H3,(H,24,26);2-11H,1H3,(H,20,22);1-8H,9H2,(H,17,18);2-9,19H,1H3,(H,16,18)
InChIKeyJISBKMWFCIIXHD-UHFFFAOYSA-N
MW2439.95 g/mol
LogP28.75
Rot. Bonds28

About 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]pyridine;2-[4-[2-(4-ethylsulfonylphenyl)-4-pyridinyl]-1H-pyrazol-5-yl]-6-methylpyridine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine

2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]pyridine;2-[4-[2-(4-ethylsulfonylphenyl)-4-pyridinyl]-1H-pyrazol-5-yl]-6-methylpyridine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine (PubChem CID 158928198) has the molecular formula C146H135N29O7S and a molecular weight of 2439.95 g/mol. Its IUPAC name is 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]pyridine;2-[4-[2-(4-ethylsulfonylphenyl)-4-pyridinyl]-1H-pyrazol-5-yl]-6-methylpyridine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine.

Molecular Properties

Compound Name2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]pyridine;2-[4-[2-(4-ethylsulfonylphenyl)-4-pyridinyl]-1H-pyrazol-5-yl]-6-methylpyridine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine
PubChem CID158928198
Molecular FormulaC146H135N29O7S
Molecular Weight2439.95 g/mol
Exact Mass2438.08
IUPAC Name2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]pyridine;2-[4-[2-(4-ethylsulfonylphenyl)-4-pyridinyl]-1H-pyrazol-5-yl]-6-methylpyridine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine
SMILESCCS(=O)(=O)c1ccc(-c2cc(-c3cn[nH]c3-c3cccc(C)n3)ccn2)cc1.Cc1cccc(-c2[nH]ncc2-c2ccc(O)cc2)n1.Cc1cccc(-c2[nH]ncc2-c2ccnc(-c3ccc(CN4CCCC4)cc3)c2)n1.Cc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1.Cc1cccc(-c2cn[nH]c2-c2ccnc(-c3ccc(CN4CCOCC4)cc3)c2)n1.Cc1cccc(-c2cn[nH]c2-c2ccnc(-c3ccc(OCCN4CCCC4)cc3)c2)n1.c1ccc(-c2[nH]ncc2-c2ccc3c(c2)OCO3)nc1
InChIInChI=1S/C26H27N5O.C25H25N5O.C25H25N5.C22H20N4O2S.C18H14N4.C15H11N3O2.C15H13N3O/c1-19-5-4-6-24(29-19)23-18-28-30-26(23)21-11-12-27-25(17-21)20-7-9-22(10-8-20)32-16-15-31-13-2-3-14-31;1-18-3-2-4-23(28-18)22-16-27-29-25(22)21-9-10-26-24(15-21)20-7-5-19(6-8-20)17-30-11-13-31-14-12-30;1-18-5-4-6-23(28-18)25-22(16-27-29-25)21-11-12-26-24(15-21)20-9-7-19(8-10-20)17-30-13-2-3-14-30;1-3-29(27,28)18-9-7-16(8-10-18)21-13-17(11-12-23-21)19-14-24-26-22(19)20-6-4-5-15(2)25-20;1-12-5-4-8-17(21-12)18-15(11-20-22-18)13-9-10-19-16-7-3-2-6-14(13)16;1-2-6-16-12(3-1)15-11(8-17-18-15)10-4-5-13-14(7-10)20-9-19-13;1-10-3-2-4-14(17-10)15-13(9-16-18-15)11-5-7-12(19)8-6-11/h4-12,17-18H,2-3,13-16H2,1H3,(H,28,30);2-10,15-16H,11-14,17H2,1H3,(H,27,29);4-12,15-16H,2-3,13-14,17H2,1H3,(H,27,29);4-14H,3H2,1-2H3,(H,24,26);2-11H,1H3,(H,20,22);1-8H,9H2,(H,17,18);2-9,19H,1H3,(H,16,18)
InChIKeyJISBKMWFCIIXHD-UHFFFAOYSA-N
XLogP28.75
TPSA456.45 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds28
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002439.95
LogP ≤ 528.75
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]pyridine;2-[4-[2-(4-ethylsulfonylphenyl)-4-pyridinyl]-1H-pyrazol-5-yl]-6-methylpyridine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine with MolForge

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Related Compounds

2-[4-(2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-5-yl]pyridine;methane;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine
CID 157482155
2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(1-methylpyrazol-4-yl)pyridine;5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(4-methylsulfonylphenyl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(4-methylsulfonylphenyl)pyridine;1-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyrazole;1-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]pyrazole
CID 157869655
4-[9-(1,3-benzodioxol-5-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[9-(3,4-dimethylphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-(9-morpholin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol
CID 158537038
2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]pyridine;2-[4-[2-(4-ethylsulfonylphenyl)-4-pyridinyl]-1H-pyrazol-5-yl]-6-methylpyridine;2-methyl-6-[4-[2-[(1-methylimidazol-4-yl)methoxy]-4-pyridinyl]-2H-pyrrol-5-yl]pyridine;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2H-pyrrol-5-yl]pyridine
CID 158679366
4-[9-(1,3-benzodioxol-5-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;(5E)-6-[4-(3,4-dimethylphenyl)-5-(5-ethenyl-4,5-dihydro-1H-pyrazol-4-yl)-2-pyridinyl]hexa-1,5-dien-3-ol;4-[5-(5-ethenyl-1H-pyrazol-4-yl)-4-(4-methylpiperazin-1-yl)-2-pyridinyl]phenol;4-(9-morpholin-4-yl-3a,9b-dihydro-3H-pyrazolo[4,3-f]quinolin-7-yl)phenol
CID 158920461
2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-(4-methylsulfonylphenyl)pyridine;2-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;2-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-5-pyrazol-1-ylpyridine;5-[[(2S)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1-benzofuran-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine
CID 159387559
2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]pyridine;2-[4-[2-(4-ethylsulfonylphenyl)-4-pyridinyl]-1H-pyrazol-5-yl]-6-methylpyridine;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]phenol;4-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2H-pyrrol-5-yl]pyridine
CID 159566442
2-[4-(2,3-dihydro-1-benzofuran-6-yl)-1H-pyrazol-5-yl]pyridine;2-[4-[2-(4-ethylsulfonylphenyl)-4-pyridinyl]-1H-pyrazol-5-yl]-6-methylpyridine;2-methyl-6-[4-(4-methylphenyl)-2H-pyrrol-5-yl]pyridine;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-2H-pyrrol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-2H-pyrrol-5-yl]pyridine
CID 161874627
(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine;(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidine;5-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;5-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]-2-(1-methylpyrazol-4-yl)pyridine;4-[4-[[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole;4-[4-[[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]methyl]phenyl]-1-methylpyrazole
CID 161998767
4-[9-(1,3-benzodioxol-5-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[9-(3,4-dimethylphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-(9-morpholin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol
CID 164056020
4-[9-(1,3-benzodioxol-5-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[9-(3,4-dimethylphenyl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-[[7-(4-hydroxyphenyl)-3H-pyrazolo[4,5-f]quinolin-9-yl]oxy]benzonitrile;methane;4-[9-(4-methylpiperazin-1-yl)-3H-pyrazolo[4,5-f]quinolin-7-yl]phenol;4-(9-pyridin-4-yl-3H-pyrazolo[4,5-f]quinolin-7-yl)phenol
CID 164170683

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]pyridine;2-[4-[2-(4-ethylsulfonylphenyl)-4-pyridinyl]-1H-pyrazol-5-yl]-6-methylpyridine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine?
The IUPAC name of 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]pyridine;2-[4-[2-(4-ethylsulfonylphenyl)-4-pyridinyl]-1H-pyrazol-5-yl]-6-methylpyridine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine (CID 158928198) is 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]pyridine;2-[4-[2-(4-ethylsulfonylphenyl)-4-pyridinyl]-1H-pyrazol-5-yl]-6-methylpyridine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine.
What is the SMILES notation for 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]pyridine;2-[4-[2-(4-ethylsulfonylphenyl)-4-pyridinyl]-1H-pyrazol-5-yl]-6-methylpyridine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine?
The canonical SMILES for 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]pyridine;2-[4-[2-(4-ethylsulfonylphenyl)-4-pyridinyl]-1H-pyrazol-5-yl]-6-methylpyridine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine is CCS(=O)(=O)c1ccc(-c2cc(-c3cn[nH]c3-c3cccc(C)n3)ccn2)cc1.Cc1cccc(-c2[nH]ncc2-c2ccc(O)cc2)n1.Cc1cccc(-c2[nH]ncc2-c2ccnc(-c3ccc(CN4CCCC4)cc3)c2)n1.Cc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1.Cc1cccc(-c2cn[nH]c2-c2ccnc(-c3ccc(CN4CCOCC4)cc3)c2)n1.Cc1cccc(-c2cn[nH]c2-c2ccnc(-c3ccc(OCCN4CCCC4)cc3)c2)n1.c1ccc(-c2[nH]ncc2-c2ccc3c(c2)OCO3)nc1.
What is the InChIKey of 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]pyridine;2-[4-[2-(4-ethylsulfonylphenyl)-4-pyridinyl]-1H-pyrazol-5-yl]-6-methylpyridine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine?
The InChIKey is JISBKMWFCIIXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O.C25H25N5O.C25H25N5.C22H20N4O2S.C18H14N4.C15H11N3O2.C15H13N3O/c1-19-5-4-6-24(29-19)23-18-28-30-26(23)21-11-12-27-25(17-21)20-7-9-22(10-8-20)32-16-15-31-13-2-3-14-31;1-18-3-2-4-23(28-18)22-16-27-29-25(22)21-9-10-26-24(15-21)20-7-5-19(6-8-20)17-30-11-13-31-14-12-30;1-18-5-4-6-23(28-18)25-22(16-27-29-25)21-11-12-26-24(15-21)20-9-7-19(8-10-20)17-30-13-2-3-14-30;1-3-29(27,28)18-9-7-16(8-10-18)21-13-17(11-12-23-21)19-14-24-26-22(19)20-6-4-5-15(2)25-20;1-12-5-4-8-17(21-12)18-15(11-20-22-18)13-9-10-19-16-7-3-2-6-14(13)16;1-2-6-16-12(3-1)15-11(8-17-18-15)10-4-5-13-14(7-10)20-9-19-13;1-10-3-2-4-14(17-10)15-13(9-16-18-15)11-5-7-12(19)8-6-11/h4-12,17-18H,2-3,13-16H2,1H3,(H,28,30);2-10,15-16H,11-14,17H2,1H3,(H,27,29);4-12,15-16H,2-3,13-14,17H2,1H3,(H,27,29);4-14H,3H2,1-2H3,(H,24,26);2-11H,1H3,(H,20,22);1-8H,9H2,(H,17,18);2-9,19H,1H3,(H,16,18).
What are the key properties of 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]pyridine;2-[4-[2-(4-ethylsulfonylphenyl)-4-pyridinyl]-1H-pyrazol-5-yl]-6-methylpyridine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine?
2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]pyridine;2-[4-[2-(4-ethylsulfonylphenyl)-4-pyridinyl]-1H-pyrazol-5-yl]-6-methylpyridine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine has a molecular weight of 2439.95 g/mol, XLogP of 28.75, 28 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-benzodioxol-5-yl)-1H-pyrazol-5-yl]pyridine;2-[4-[2-(4-ethylsulfonylphenyl)-4-pyridinyl]-1H-pyrazol-5-yl]-6-methylpyridine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]phenol;4-[[4-[4-[4-(6-methyl-2-pyridinyl)-1H-pyrazol-5-yl]-2-pyridinyl]phenyl]methyl]morpholine;4-[5-(6-methyl-2-pyridinyl)-1H-pyrazol-4-yl]quinoline;2-methyl-6-[5-[2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-pyridinyl]-1H-pyrazol-4-yl]pyridine;2-methyl-6-[4-[2-[4-(pyrrolidin-1-ylmethyl)phenyl]-4-pyridinyl]-1H-pyrazol-5-yl]pyridine is sourced from PubChem (CID 158928198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).