1-[4-[6-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(4-methylphenyl)methyl]pyridine;[1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrazol-3-yl]methanol

C92H101F5N22O3 — CID 159291019

IUPAC1-[4-[6-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(4-methylphenyl)methyl]pyridine;[1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrazol-3-yl]methanol
SMILESCC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3cc(F)cc(F)c3)n2)CC1.CC(=O)N1CCN(c2cc(Cc3cccc(C(C)(F)F)c3)nc(-n3nc(C)cc3C)n2)CC1.Cc1ccc(Cc2cc(Cn3nc(C)cc3C)cc(-n3ccc(CF)n3)n2)cc1.Cc1ccc(Cc2cc(Cn3nc(C)cc3C)cc(-n3ccc(CO)n3)n2)cc1
InChIInChI=1S/C24H28F2N6O.C23H24FN5.C23H25N5O.C22H24F2N6O/c1-16-12-17(2)32(29-16)23-27-21(14-19-6-5-7-20(13-19)24(4,25)26)15-22(28-23)31-10-8-30(9-11-31)18(3)33;1-16-4-6-19(7-5-16)11-22-12-20(15-29-18(3)10-17(2)26-29)13-23(25-22)28-9-8-21(14-24)27-28;1-16-4-6-19(7-5-16)11-22-12-20(14-28-18(3)10-17(2)25-28)13-23(24-22)27-9-8-21(15-29)26-27;1-14-8-15(2)30(27-14)22-13-21(29-6-4-28(5-7-29)16(3)31)25-20(26-22)11-17-9-18(23)12-19(24)10-17/h5-7,12-13,15H,8-11,14H2,1-4H3;4-10,12-13H,11,14-15H2,1-3H3;4-10,12-13,29H,11,14-15H2,1-3H3;8-10,12-13H,4-7,11H2,1-3H3
InChIKeyLACUHGAYBXNMJH-UHFFFAOYSA-N
MW1657.96 g/mol
LogP14.48
Rot. Bonds21

About 1-[4-[6-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(4-methylphenyl)methyl]pyridine;[1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrazol-3-yl]methanol

1-[4-[6-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(4-methylphenyl)methyl]pyridine;[1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrazol-3-yl]methanol (PubChem CID 159291019) has the molecular formula C92H101F5N22O3 and a molecular weight of 1657.96 g/mol. Its IUPAC name is 1-[4-[6-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(4-methylphenyl)methyl]pyridine;[1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrazol-3-yl]methanol.

Molecular Properties

Compound Name1-[4-[6-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(4-methylphenyl)methyl]pyridine;[1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrazol-3-yl]methanol
PubChem CID159291019
Molecular FormulaC92H101F5N22O3
Molecular Weight1657.96 g/mol
Exact Mass1656.83
IUPAC Name1-[4-[6-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(4-methylphenyl)methyl]pyridine;[1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrazol-3-yl]methanol
SMILESCC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3cc(F)cc(F)c3)n2)CC1.CC(=O)N1CCN(c2cc(Cc3cccc(C(C)(F)F)c3)nc(-n3nc(C)cc3C)n2)CC1.Cc1ccc(Cc2cc(Cn3nc(C)cc3C)cc(-n3ccc(CF)n3)n2)cc1.Cc1ccc(Cc2cc(Cn3nc(C)cc3C)cc(-n3ccc(CO)n3)n2)cc1
InChIInChI=1S/C24H28F2N6O.C23H24FN5.C23H25N5O.C22H24F2N6O/c1-16-12-17(2)32(29-16)23-27-21(14-19-6-5-7-20(13-19)24(4,25)26)15-22(28-23)31-10-8-30(9-11-31)18(3)33;1-16-4-6-19(7-5-16)11-22-12-20(15-29-18(3)10-17(2)26-29)13-23(25-22)28-9-8-21(14-24)27-28;1-16-4-6-19(7-5-16)11-22-12-20(14-28-18(3)10-17(2)25-28)13-23(24-22)27-9-8-21(15-29)26-27;1-14-8-15(2)30(27-14)22-13-21(29-6-4-28(5-7-29)16(3)31)25-20(26-22)11-17-9-18(23)12-19(24)10-17/h5-7,12-13,15H,8-11,14H2,1-4H3;4-10,12-13H,11,14-15H2,1-3H3;4-10,12-13,29H,11,14-15H2,1-3H3;8-10,12-13H,4-7,11H2,1-3H3
InChIKeyLACUHGAYBXNMJH-UHFFFAOYSA-N
XLogP14.48
TPSA251.59 Ų
H-Bond Donors1
H-Bond Acceptors23
Rotatable Bonds21
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001657.96
LogP ≤ 514.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1023

Analyze 1-[4-[6-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(4-methylphenyl)methyl]pyridine;[1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrazol-3-yl]methanol with MolForge

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Related Compounds

2-(4-Fluorophenyl)-2-[2-[4-[3-[[4-[3-[[4-[4-[4-[5-[1-(4-fluorophenyl)-1-hydroxyethyl]pyrimidin-2-yl]-3-methylpiperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]-4-[4-[5-[2-(4-fluorophenyl)-1-hydroxypropan-2-yl]pyrimidin-2-yl]piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-3-ium-6-yl]pyrazol-1-yl]methyl]-6-(1-methylpyrazol-4-yl)pyrrolo[2,1-f][1,2,4]triazin-3-ium-4-yl]piperazin-1-yl]pyrimidin-5-yl]propan-1-ol
CID 123217151
1-[[5-[3-(Fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[5-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]methyl]pyrrolidin-2-one;1-[[4-[4-(hydroxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[4-(methoxymethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;4-methyl-2-[4-[(2-oxopiperidin-1-yl)methyl]phenyl]-6-(trifluoromethyl)pyridine-3-carbonitrile;1-[[4-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]phenyl]methyl]pyrrolidin-2-one
CID 157692862
[6-[6-[(4,4-difluorocyclohexyl)amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2-fluorophenyl)butyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(2-fluorophenyl)propyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;(3S)-3-[[6-[6-(hydroxymethyl)-5-(4-methylimidazol-1-yl)-2-pyridinyl]-4-methylpyridazin-3-yl]amino]-3-(4-methylphenyl)propan-1-ol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(4-methylphenyl)propyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 157997137
[6-[6-[[(1S)-1-(3,5-difluoro-4-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[[(1S)-1-(4-fluoro-3-methylphenyl)ethyl]amino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[6-[6-[2-(4-fluorophenyl)ethylamino]-5-methylpyridazin-3-yl]-3-(4-methylimidazol-1-yl)-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-(3-methylphenyl)ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol;[3-(4-methylimidazol-1-yl)-6-[5-methyl-6-[[(1S)-1-[4-methyl-3-(trifluoromethyl)phenyl]ethyl]amino]pyridazin-3-yl]-2-pyridinyl]methanol
CID 158050810
2-(3,5-Diphenylpyrazol-1-yl)-1-[4-(1,3,5-triazin-2-yl)piperazin-1-yl]ethanone;2-(3,5-diphenylpyrazol-1-yl)-1-[4-[4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(4-methoxy-2-pyridinyl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-[4-(6-methoxypyrimidin-4-yl)piperazin-1-yl]ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(methoxymethyl)pyrazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone
CID 158156416
1-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]imidazolidin-2-one;3-[4-[4-[(4-fluoro-2-methylphenyl)methyl-methylamino]piperidin-1-yl]phthalazin-1-yl]-1H-imidazol-2-one;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(4-methylpyridazin-3-yl)methyl]piperidin-4-amine;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[(5-methylpyrimidin-4-yl)methyl]piperidin-4-amine;2-[6-[[methyl-[1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]piperidin-4-yl]amino]methyl]-3-pyridinyl]propan-2-ol;N-methyl-1-[4-(2-methylpyrazol-3-yl)phthalazin-1-yl]-N-[[5-(trifluoromethyl)-2-pyridinyl]methyl]piperidin-4-amine
CID 158775110
1-cyclopentyl-4-[[[5-fluoro-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-yl]amino]methyl]pyrrolidin-2-one;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-[3-methyl-1-(2H-tetrazol-5-yl)butyl]pyrimidin-4-amine;2-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]ethanol;1-[[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]methyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[6-(trifluoromethyl)-3-pyridinyl]ethyl]pyrimidine;5-fluoro-N-[(4-methyloxan-4-yl)methyl]-6-[2-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 159140916
1-[4-[2-[(2,3-Difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(2,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(3-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[[3-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 159760723
2-[5-(4,4-Difluorocyclohexyl)-3-(4-fluoro-3-methylphenyl)-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluoro-3-methylphenyl)-5-(3-methylcyclohexyl)-1,2,4-triazol-1-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone;2-[3-(4-fluorophenyl)-5-(5-fluoro-2-pyridinyl)-1,2,4-triazol-1-yl]-1-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]ethanone
CID 159837672
3-[6-(3,3-difluoropiperidin-1-yl)pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;6-[6-[5-fluoro-6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]-7,8-dihydro-5H-pyrido[3,4-b]pyrazine;3-[6-[(3R)-3-(fluoromethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;3-[6-[(3R)-3-methoxypyrrolidin-1-yl]pyrimidin-4-yl]-5-(1-methylpyrazol-4-yl)-1H-isoindole;7-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]-6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazine;[(3S)-1-[6-[6-(1-methylpyrazol-4-yl)-3H-isoindol-1-yl]pyrimidin-4-yl]pyrrolidin-3-yl]methanol
CID 160010204
1-[4-[2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]-4,4-difluoropentan-1-one;[1-[2-[[1-(2,2-difluoroethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-4-(4-methylphenyl)piperidin-4-yl]methanol;4,4-difluoro-1-[4-[2-[[1-(2-hydroxyethyl)pyrazol-4-yl]amino]-[1,2,4]triazolo[1,5-a]pyridin-8-yl]-3,6-dihydro-2H-pyridin-1-yl]pentan-1-one;2-[4-[[8-[4-(hydroxymethyl)-4-(4-methylphenyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyrazol-1-yl]ethanol
CID 160614005
7-ethyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-[(4-fluoro-1-pyridin-3-ylpiperidin-4-yl)methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;7-[[4-[1-(2-hydroxyethyl)-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(5-pyrazol-1-ylpyrazin-2-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(2-propan-2-ylphenyl)-7-[(5-pyrazol-1-ylpyrimidin-2-yl)methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 160822147

Frequently Asked Questions

What is the IUPAC name of 1-[4-[6-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(4-methylphenyl)methyl]pyridine;[1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrazol-3-yl]methanol?
The IUPAC name of 1-[4-[6-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(4-methylphenyl)methyl]pyridine;[1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrazol-3-yl]methanol (CID 159291019) is 1-[4-[6-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(4-methylphenyl)methyl]pyridine;[1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrazol-3-yl]methanol.
What is the SMILES notation for 1-[4-[6-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(4-methylphenyl)methyl]pyridine;[1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrazol-3-yl]methanol?
The canonical SMILES for 1-[4-[6-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(4-methylphenyl)methyl]pyridine;[1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrazol-3-yl]methanol is CC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3cc(F)cc(F)c3)n2)CC1.CC(=O)N1CCN(c2cc(Cc3cccc(C(C)(F)F)c3)nc(-n3nc(C)cc3C)n2)CC1.Cc1ccc(Cc2cc(Cn3nc(C)cc3C)cc(-n3ccc(CF)n3)n2)cc1.Cc1ccc(Cc2cc(Cn3nc(C)cc3C)cc(-n3ccc(CO)n3)n2)cc1.
What is the InChIKey of 1-[4-[6-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(4-methylphenyl)methyl]pyridine;[1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrazol-3-yl]methanol?
The InChIKey is LACUHGAYBXNMJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F2N6O.C23H24FN5.C23H25N5O.C22H24F2N6O/c1-16-12-17(2)32(29-16)23-27-21(14-19-6-5-7-20(13-19)24(4,25)26)15-22(28-23)31-10-8-30(9-11-31)18(3)33;1-16-4-6-19(7-5-16)11-22-12-20(15-29-18(3)10-17(2)26-29)13-23(25-22)28-9-8-21(14-24)27-28;1-16-4-6-19(7-5-16)11-22-12-20(14-28-18(3)10-17(2)25-28)13-23(24-22)27-9-8-21(15-29)26-27;1-14-8-15(2)30(27-14)22-13-21(29-6-4-28(5-7-29)16(3)31)25-20(26-22)11-17-9-18(23)12-19(24)10-17/h5-7,12-13,15H,8-11,14H2,1-4H3;4-10,12-13H,11,14-15H2,1-3H3;4-10,12-13,29H,11,14-15H2,1-3H3;8-10,12-13H,4-7,11H2,1-3H3.
What are the key properties of 1-[4-[6-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(4-methylphenyl)methyl]pyridine;[1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrazol-3-yl]methanol?
1-[4-[6-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(4-methylphenyl)methyl]pyridine;[1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrazol-3-yl]methanol has a molecular weight of 1657.96 g/mol, XLogP of 14.48, 21 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[6-[[3-(1,1-difluoroethyl)phenyl]methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-[(3,5-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;4-[(3,5-dimethylpyrazol-1-yl)methyl]-2-[3-(fluoromethyl)pyrazol-1-yl]-6-[(4-methylphenyl)methyl]pyridine;[1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-6-[(4-methylphenyl)methyl]-2-pyridinyl]pyrazol-3-yl]methanol is sourced from PubChem (CID 159291019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).