4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-4-ylbutan-2-one;ethane;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-4-ylbutan-2-one

C88H106F6N20O4 — CID 159655136

IUPAC4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-4-ylbutan-2-one;ethane;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-4-ylbutan-2-one
SMILESCC.CC.CC.CC.Cc1cc(CCC(=O)Cc2cccnc2)nnc1-c1cn(C)nc1C(F)(F)F.Cc1cc(CCC(=O)Cc2cccnc2)nnc1-c1cn(C)nc1C1CC1.Cc1cc(CCC(=O)Cc2ccncc2)nnc1-c1cn(C)nc1C(F)(F)F.Cc1cc(CCC(=O)Cc2ccncc2)nnc1-c1cn(C)nc1C1CC1
InChIInChI=1S/2C21H23N5O.2C19H18F3N5O.4C2H6/c1-14-11-17(5-6-18(27)12-15-7-9-22-10-8-15)23-24-20(14)19-13-26(2)25-21(19)16-3-4-16;1-14-10-17(7-8-18(27)11-15-4-3-9-22-12-15)23-24-20(14)19-13-26(2)25-21(19)16-5-6-16;1-12-9-14(3-4-15(28)10-13-5-7-23-8-6-13)24-25-17(12)16-11-27(2)26-18(16)19(20,21)22;1-12-8-14(5-6-15(28)9-13-4-3-7-23-10-13)24-25-17(12)16-11-27(2)26-18(16)19(20,21)22;4*1-2/h7-11,13,16H,3-6,12H2,1-2H3;3-4,9-10,12-13,16H,5-8,11H2,1-2H3;5-9,11H,3-4,10H2,1-2H3;3-4,7-8,10-11H,5-6,9H2,1-2H3;4*1-2H3
InChIKeyMSBPFGQKIZLTLZ-UHFFFAOYSA-N
MW1621.94 g/mol
LogP17.20
Rot. Bonds26

About 4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-4-ylbutan-2-one;ethane;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-4-ylbutan-2-one

4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-4-ylbutan-2-one;ethane;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-4-ylbutan-2-one (PubChem CID 159655136) has the molecular formula C88H106F6N20O4 and a molecular weight of 1621.94 g/mol. Its IUPAC name is 4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-4-ylbutan-2-one;ethane;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-4-ylbutan-2-one.

Molecular Properties

Compound Name4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-4-ylbutan-2-one;ethane;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-4-ylbutan-2-one
PubChem CID159655136
Molecular FormulaC88H106F6N20O4
Molecular Weight1621.94 g/mol
Exact Mass1620.86
IUPAC Name4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-4-ylbutan-2-one;ethane;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-4-ylbutan-2-one
SMILESCC.CC.CC.CC.Cc1cc(CCC(=O)Cc2cccnc2)nnc1-c1cn(C)nc1C(F)(F)F.Cc1cc(CCC(=O)Cc2cccnc2)nnc1-c1cn(C)nc1C1CC1.Cc1cc(CCC(=O)Cc2ccncc2)nnc1-c1cn(C)nc1C(F)(F)F.Cc1cc(CCC(=O)Cc2ccncc2)nnc1-c1cn(C)nc1C1CC1
InChIInChI=1S/2C21H23N5O.2C19H18F3N5O.4C2H6/c1-14-11-17(5-6-18(27)12-15-7-9-22-10-8-15)23-24-20(14)19-13-26(2)25-21(19)16-3-4-16;1-14-10-17(7-8-18(27)11-15-4-3-9-22-12-15)23-24-20(14)19-13-26(2)25-21(19)16-5-6-16;1-12-9-14(3-4-15(28)10-13-5-7-23-8-6-13)24-25-17(12)16-11-27(2)26-18(16)19(20,21)22;1-12-8-14(5-6-15(28)9-13-4-3-7-23-10-13)24-25-17(12)16-11-27(2)26-18(16)19(20,21)22;4*1-2/h7-11,13,16H,3-6,12H2,1-2H3;3-4,9-10,12-13,16H,5-8,11H2,1-2H3;5-9,11H,3-4,10H2,1-2H3;3-4,7-8,10-11H,5-6,9H2,1-2H3;4*1-2H3
InChIKeyMSBPFGQKIZLTLZ-UHFFFAOYSA-N
XLogP17.20
TPSA294.24 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds26
Heavy Atoms118
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001621.94
LogP ≤ 517.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-4-ylbutan-2-one;ethane;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-4-ylbutan-2-one with MolForge

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Related Compounds

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-cyclopropyl-5-ethyl-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-ethynyl-3-(trifluoromethyl)pyrazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-5,5a,6,6a-tetrahydro-4H-cyclopropa[g]indazol-1-yl]pentan-2-one
CID 160878146
3-[4-[4-[4-(Cyclopropanecarbonyl)piperazin-1-yl]pyrrolo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]cyclohexan-1-one;cyclopropyl-[4-[6-[1-(3,3-difluorocyclohexyl)pyrazol-4-yl]pyrrolo[1,2-b]pyridazin-4-yl]piperazin-1-yl]methanone
CID 161475909
Bis(1-[1-(2,2-dimethylpropyl)-4-fluoropiperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone);1-[4-fluoro-1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-(4-fluoro-1-propylpiperidin-4-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone)
CID 158308304
1-Cyclohexyl-2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-[1-(2-methylpropyl)piperidin-4-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[7-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(dimethylamino)cyclohexyl]-2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[8-fluoro-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(4-piperidin-1-ylcyclohexyl)ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-3-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-3-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]propan-2-one
CID 159558576
(6-Fluoro-3-pyridinyl)boronic acid;1-[3-(6-fluoro-3-pyridinyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-2-(3,4,5-trifluorophenyl)ethanone;1-(3-iodo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl)-2-(3,4,5-trifluorophenyl)ethanone
CID 160153822
1-[1-(2,2-Dimethylpropyl)pyrrolidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)pyrrolidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)pyrrolidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)pyrrolidin-3-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpyrrolidin-3-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpyrrolidin-3-yl)ethanone)
CID 160302018
2-Methyl-3-piperidin-1-ium-1-yl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;2-methyl-3-piperidin-1-yl-1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one;2-propan-2-ylpyrazolo[1,5-a]pyridine;1-(2-propan-2-ylpyrazolo[1,5-a]pyridin-3-yl)propan-1-one
CID 160470646
1-[1-(2,2-Dimethylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoro-2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-fluoropropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propan-2-ylpiperidin-4-yl)ethanone;bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(1-propylpiperidin-4-yl)ethanone)
CID 161371454
cyclopropyl-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone;ethyl 4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazine-1-carboxylate;[(1S,2R)-2-fluorocyclopropyl]-[4-[6-(1-methylpyrazol-4-yl)-7H-cyclopenta[b]pyridin-4-yl]piperazin-1-yl]methanone
CID 163647932
zinc [2-[10,15-bis[1-[(2R)-2-phenylpropanoyl]azanidylpyridin-1-ium-2-yl]-20-[1-[(2R)-2-phenylpropanoyl]azanidylpyridin-1-ium-3-yl]porphyrin-21,23-diid-5-yl]pyridin-1-ium-1-yl]-[(2S)-2-phenylpropanoyl]azanide
CID 25160911

Frequently Asked Questions

What is the IUPAC name of 4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-4-ylbutan-2-one;ethane;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-4-ylbutan-2-one?
The IUPAC name of 4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-4-ylbutan-2-one;ethane;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-4-ylbutan-2-one (CID 159655136) is 4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-4-ylbutan-2-one;ethane;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-4-ylbutan-2-one.
What is the SMILES notation for 4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-4-ylbutan-2-one;ethane;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-4-ylbutan-2-one?
The canonical SMILES for 4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-4-ylbutan-2-one;ethane;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-4-ylbutan-2-one is CC.CC.CC.CC.Cc1cc(CCC(=O)Cc2cccnc2)nnc1-c1cn(C)nc1C(F)(F)F.Cc1cc(CCC(=O)Cc2cccnc2)nnc1-c1cn(C)nc1C1CC1.Cc1cc(CCC(=O)Cc2ccncc2)nnc1-c1cn(C)nc1C(F)(F)F.Cc1cc(CCC(=O)Cc2ccncc2)nnc1-c1cn(C)nc1C1CC1.
What is the InChIKey of 4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-4-ylbutan-2-one;ethane;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-4-ylbutan-2-one?
The InChIKey is MSBPFGQKIZLTLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C21H23N5O.2C19H18F3N5O.4C2H6/c1-14-11-17(5-6-18(27)12-15-7-9-22-10-8-15)23-24-20(14)19-13-26(2)25-21(19)16-3-4-16;1-14-10-17(7-8-18(27)11-15-4-3-9-22-12-15)23-24-20(14)19-13-26(2)25-21(19)16-5-6-16;1-12-9-14(3-4-15(28)10-13-5-7-23-8-6-13)24-25-17(12)16-11-27(2)26-18(16)19(20,21)22;1-12-8-14(5-6-15(28)9-13-4-3-7-23-10-13)24-25-17(12)16-11-27(2)26-18(16)19(20,21)22;4*1-2/h7-11,13,16H,3-6,12H2,1-2H3;3-4,9-10,12-13,16H,5-8,11H2,1-2H3;5-9,11H,3-4,10H2,1-2H3;3-4,7-8,10-11H,5-6,9H2,1-2H3;4*1-2H3.
What are the key properties of 4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-4-ylbutan-2-one;ethane;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-4-ylbutan-2-one?
4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-4-ylbutan-2-one;ethane;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-4-ylbutan-2-one has a molecular weight of 1621.94 g/mol, XLogP of 17.20, 26 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[6-(3-cyclopropyl-1-methylpyrazol-4-yl)-5-methylpyridazin-3-yl]-1-pyridin-4-ylbutan-2-one;ethane;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-3-ylbutan-2-one;4-[5-methyl-6-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyridazin-3-yl]-1-pyridin-4-ylbutan-2-one is sourced from PubChem (CID 159655136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).