6-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;6-cyclopropyl-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide

C184H213F9N44O25S — CID 157282916

IUPAC6-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;6-cyclopropyl-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide
SMILESCCN1CCN(c2cc(C(=O)Nc3cnc(C)c(-c4cc(NCCO)nc(N5CCOCC5)c4)c3)cc(C(F)(F)F)c2)CC1.CCn1cc(C(=O)Nc2cnc(C)c(-c3cc(NCCO)nc(N4CCOCC4)c3)c2)cc(C(F)(F)F)c1=O.Cc1ccc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cnnc(C3CC3)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C31H38F3N7O3.C27H31N7O3.C26H29F3N6O4.C26H32N6O4.C26H30N6O3.C24H25F3N6O3.C24H28N6O5S/c1-3-39-5-7-40(8-6-39)26-15-23(14-24(18-26)31(32,33)34)30(43)37-25-19-27(21(2)36-20-25)22-16-28(35-4-11-42)38-29(17-22)41-9-12-44-13-10-41;1-18-4-5-21(31-26(36)20-12-23(33-30-16-20)27(2,3)17-28)15-22(18)19-13-24(29-6-9-35)32-25(14-19)34-7-10-37-11-8-34;1-3-34-15-18(10-21(25(34)38)26(27,28)29)24(37)32-19-13-20(16(2)31-14-19)17-11-22(30-4-7-36)33-23(12-17)35-5-8-39-9-6-35;1-17-21(19-13-23(28-6-9-33)31-24(14-19)32-7-10-36-11-8-32)15-20(16-29-17)30-25(34)18-4-5-27-22(12-18)26(2,3)35;1-17-2-5-21(29-26(34)20-12-23(18-3-4-18)31-28-16-20)15-22(17)19-13-24(27-6-9-33)30-25(14-19)32-7-10-35-11-8-32;1-15-2-3-18(30-23(35)17-10-20(24(25,26)27)32-29-14-17)13-19(15)16-11-21(28-4-7-34)31-22(12-16)33-5-8-36-9-6-33;1-16-20(18-11-21(25-5-8-31)29-22(12-18)30-6-9-35-10-7-30)14-19(15-27-16)28-24(32)17-3-4-26-23(13-17)36(2,33)34/h14-20,42H,3-13H2,1-2H3,(H,35,38)(H,37,43);4-5,12-16,35H,6-11H2,1-3H3,(H,29,32)(H,31,36);10-15,36H,3-9H2,1-2H3,(H,30,33)(H,32,37);4-5,12-16,33,35H,6-11H2,1-3H3,(H,28,31)(H,30,34);2,5,12-16,18,33H,3-4,6-11H2,1H3,(H,27,30)(H,29,34);2-3,10-14,34H,4-9H2,1H3,(H,28,31)(H,30,35);3-4,11-15,31H,5-10H2,1-2H3,(H,25,29)(H,28,32)
InChIKeyAZWNESZXXPDNFN-UHFFFAOYSA-N
MW3644.06 g/mol
LogP21.28
Rot. Bonds56

About 6-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;6-cyclopropyl-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide

6-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;6-cyclopropyl-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide (PubChem CID 157282916) has the molecular formula C184H213F9N44O25S and a molecular weight of 3644.06 g/mol. Its IUPAC name is 6-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;6-cyclopropyl-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;6-cyclopropyl-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide
PubChem CID157282916
Molecular FormulaC184H213F9N44O25S
Molecular Weight3644.06 g/mol
Exact Mass3641.63
IUPAC Name6-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;6-cyclopropyl-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide
SMILESCCN1CCN(c2cc(C(=O)Nc3cnc(C)c(-c4cc(NCCO)nc(N5CCOCC5)c4)c3)cc(C(F)(F)F)c2)CC1.CCn1cc(C(=O)Nc2cnc(C)c(-c3cc(NCCO)nc(N4CCOCC4)c3)c2)cc(C(F)(F)F)c1=O.Cc1ccc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cnnc(C3CC3)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1
InChIInChI=1S/C31H38F3N7O3.C27H31N7O3.C26H29F3N6O4.C26H32N6O4.C26H30N6O3.C24H25F3N6O3.C24H28N6O5S/c1-3-39-5-7-40(8-6-39)26-15-23(14-24(18-26)31(32,33)34)30(43)37-25-19-27(21(2)36-20-25)22-16-28(35-4-11-42)38-29(17-22)41-9-12-44-13-10-41;1-18-4-5-21(31-26(36)20-12-23(33-30-16-20)27(2,3)17-28)15-22(18)19-13-24(29-6-9-35)32-25(14-19)34-7-10-37-11-8-34;1-3-34-15-18(10-21(25(34)38)26(27,28)29)24(37)32-19-13-20(16(2)31-14-19)17-11-22(30-4-7-36)33-23(12-17)35-5-8-39-9-6-35;1-17-21(19-13-23(28-6-9-33)31-24(14-19)32-7-10-36-11-8-32)15-20(16-29-17)30-25(34)18-4-5-27-22(12-18)26(2,3)35;1-17-2-5-21(29-26(34)20-12-23(18-3-4-18)31-28-16-20)15-22(17)19-13-24(27-6-9-33)30-25(14-19)32-7-10-35-11-8-32;1-15-2-3-18(30-23(35)17-10-20(24(25,26)27)32-29-14-17)13-19(15)16-11-21(28-4-7-34)31-22(12-16)33-5-8-36-9-6-33;1-16-20(18-11-21(25-5-8-31)29-22(12-18)30-6-9-35-10-7-30)14-19(15-27-16)28-24(32)17-3-4-26-23(13-17)36(2,33)34/h14-20,42H,3-13H2,1-2H3,(H,35,38)(H,37,43);4-5,12-16,35H,6-11H2,1-3H3,(H,29,32)(H,31,36);10-15,36H,3-9H2,1-2H3,(H,30,33)(H,32,37);4-5,12-16,33,35H,6-11H2,1-3H3,(H,28,31)(H,30,34);2,5,12-16,18,33H,3-4,6-11H2,1H3,(H,27,30)(H,29,34);2-3,10-14,34H,4-9H2,1H3,(H,28,31)(H,30,35);3-4,11-15,31H,5-10H2,1-2H3,(H,25,29)(H,28,32)
InChIKeyAZWNESZXXPDNFN-UHFFFAOYSA-N
XLogP21.28
TPSA868.36 Ų
H-Bond Donors22
H-Bond Acceptors62
Rotatable Bonds56
Heavy Atoms263
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003644.06
LogP ≤ 521.28
H-Bond Donors ≤ 522
H-Bond Acceptors ≤ 1062

Analyze 6-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;6-cyclopropyl-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

2-(1-cyanocyclopropyl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;2-(1-cyanocyclopropyl)-N-[5-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 157416960
CID 157924226
CID 157924226
2-(2-cyanopropan-2-yl)-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;6-cyclopropyl-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]pyridazine-4-carboxamide;3-[(dimethylamino)methyl]-N-[4-methyl-3-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)phenyl]-5-(trifluoromethyl)benzamide;1-ethyl-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]pyridine-4-carboxamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-(1-methyl-2-morpholin-4-yl-6-oxo-4-pyridinyl)-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158148052
2-(1-cyanocyclopropyl)-N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;2-(difluoromethyl)-N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[3-[3-fluoro-2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[3-[3-fluoro-6-(2-hydroxyethylamino)-2-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 158188983
2-(2-cyanopropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;6-cyclopropyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridazine-4-carboxamide;2-(1,1-difluoropropyl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;1-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;2-ethyl-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;2-(2-hydroxypropan-2-yl)-N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]pyridine-4-carboxamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-3-(2-methylsulfonylpropan-2-yl)benzamide;N-[4-methyl-3-(1-methyl-5-morpholin-4-yl-6-oxopyridazin-3-yl)phenyl]-3-(1,3,4-oxadiazol-2-yl)benzamide
CID 158202641
1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-3-(2-hydroxypropan-2-yl)benzamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide
CID 158480797
CID 158544521
CID 158544521
2-(2-cyanopropan-2-yl)-N-[3-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[3-[2-[[4-(hydroxymethyl)oxan-4-yl]amino]-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;2-(1,1-difluoroethyl)-N-[3-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[3-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide;N-[5-[2-(dimethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-6-methyl-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 158621808
3-(1,1-difluoroethyl)-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]benzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;1-ethyl-N-[3-[2-(ethylamino)-6-morpholin-4-ylpyrimidin-4-yl]-4-methylphenyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide
CID 158796940
N-[5-[5-cyano-6-(dimethylamino)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[5-cyano-6-(oxan-4-yl)-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;2-(2-cyanopropan-2-yl)-N-[5-(5-cyano-6-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[5-(5-cyano-6-propan-2-yl-3-pyridinyl)-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide;5-[2-methyl-5-[2-(2-methylsulfonyl-4-pyridinyl)acetyl]phenyl]-2-piperazin-1-ylpyridine-3-carbonitrile;5-[2-methyl-5-[2-[2-(trifluoromethyl)-4-pyridinyl]acetyl]phenyl]-2-piperazin-1-ylpyridine-3-carbonitrile
CID 158917816
2-(1-cyanocyclopropyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;6-cyclopropyl-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;5-(difluoromethyl)-N-[3-[2-(3-hydroxyazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;2-(difluoromethyl)-N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide;N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-3-methylsulfonylbenzamide;N-[3-[2-(3-hydroxy-3-methylazetidin-1-yl)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide
CID 158989334
2-(1-cyanocyclopropyl)-N-[3-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-4-methylphenyl]pyridine-4-carboxamide;2-(1-cyanocyclopropyl)-N-[5-(5-cyano-6-morpholin-4-yl-3-pyridinyl)-6-methyl-3-pyridinyl]pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(2-cyanopropan-2-yl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(1,1-difluoroethyl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(difluoromethyl)pyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-methylsulfonylpyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-propan-2-ylpyridine-4-carboxamide;N-[3-(5-cyano-6-piperazin-1-yl-3-pyridinyl)-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 159027673

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;6-cyclopropyl-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide?
The IUPAC name of 6-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;6-cyclopropyl-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide (CID 157282916) is 6-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;6-cyclopropyl-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide.
What is the SMILES notation for 6-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;6-cyclopropyl-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide?
The canonical SMILES for 6-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;6-cyclopropyl-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide is CCN1CCN(c2cc(C(=O)Nc3cnc(C)c(-c4cc(NCCO)nc(N5CCOCC5)c4)c3)cc(C(F)(F)F)c2)CC1.CCn1cc(C(=O)Nc2cnc(C)c(-c3cc(NCCO)nc(N4CCOCC4)c3)c2)cc(C(F)(F)F)c1=O.Cc1ccc(NC(=O)c2cnnc(C(C)(C)C#N)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cnnc(C(F)(F)F)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ccc(NC(=O)c2cnnc(C3CC3)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(C(C)(C)O)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.Cc1ncc(NC(=O)c2ccnc(S(C)(=O)=O)c2)cc1-c1cc(NCCO)nc(N2CCOCC2)c1.
What is the InChIKey of 6-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;6-cyclopropyl-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide?
The InChIKey is AZWNESZXXPDNFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H38F3N7O3.C27H31N7O3.C26H29F3N6O4.C26H32N6O4.C26H30N6O3.C24H25F3N6O3.C24H28N6O5S/c1-3-39-5-7-40(8-6-39)26-15-23(14-24(18-26)31(32,33)34)30(43)37-25-19-27(21(2)36-20-25)22-16-28(35-4-11-42)38-29(17-22)41-9-12-44-13-10-41;1-18-4-5-21(31-26(36)20-12-23(33-30-16-20)27(2,3)17-28)15-22(18)19-13-24(29-6-9-35)32-25(14-19)34-7-10-37-11-8-34;1-3-34-15-18(10-21(25(34)38)26(27,28)29)24(37)32-19-13-20(16(2)31-14-19)17-11-22(30-4-7-36)33-23(12-17)35-5-8-39-9-6-35;1-17-21(19-13-23(28-6-9-33)31-24(14-19)32-7-10-36-11-8-32)15-20(16-29-17)30-25(34)18-4-5-27-22(12-18)26(2,3)35;1-17-2-5-21(29-26(34)20-12-23(18-3-4-18)31-28-16-20)15-22(17)19-13-24(27-6-9-33)30-25(14-19)32-7-10-35-11-8-32;1-15-2-3-18(30-23(35)17-10-20(24(25,26)27)32-29-14-17)13-19(15)16-11-21(28-4-7-34)31-22(12-16)33-5-8-36-9-6-33;1-16-20(18-11-21(25-5-8-31)29-22(12-18)30-6-9-35-10-7-30)14-19(15-27-16)28-24(32)17-3-4-26-23(13-17)36(2,33)34/h14-20,42H,3-13H2,1-2H3,(H,35,38)(H,37,43);4-5,12-16,35H,6-11H2,1-3H3,(H,29,32)(H,31,36);10-15,36H,3-9H2,1-2H3,(H,30,33)(H,32,37);4-5,12-16,33,35H,6-11H2,1-3H3,(H,28,31)(H,30,34);2,5,12-16,18,33H,3-4,6-11H2,1H3,(H,27,30)(H,29,34);2-3,10-14,34H,4-9H2,1H3,(H,28,31)(H,30,35);3-4,11-15,31H,5-10H2,1-2H3,(H,25,29)(H,28,32).
What are the key properties of 6-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;6-cyclopropyl-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide?
6-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;6-cyclopropyl-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide has a molecular weight of 3644.06 g/mol, XLogP of 21.28, 56 rotatable bonds, 22 hydrogen bond donors, and 62 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyanopropan-2-yl)-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;6-cyclopropyl-N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]pyridazine-4-carboxamide;1-ethyl-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-6-oxo-5-(trifluoromethyl)pyridine-3-carboxamide;3-(4-ethylpiperazin-1-yl)-N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-5-(trifluoromethyl)benzamide;N-[3-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-4-methylphenyl]-6-(trifluoromethyl)pyridazine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-(2-hydroxypropan-2-yl)pyridine-4-carboxamide;N-[5-[2-(2-hydroxyethylamino)-6-morpholin-4-yl-4-pyridinyl]-6-methyl-3-pyridinyl]-2-methylsulfonylpyridine-4-carboxamide is sourced from PubChem (CID 157282916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).