1-[4-[2-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone

C90H104F4N24O4 — CID 160977854

IUPAC1-[4-[2-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3ccc(F)c(F)c3)n2)CC1.CC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3ccc(F)cc3)n2)CC1.CC(=O)N1CCN(c2cc(Cc3ccc(C)c(F)c3)nc(-n3nc(C)cc3C)n2)CC1.CC(=O)N1CCN(c2cc(Cc3ccc(C)cc3)nc(-n3nc(C)cc3C)n2)CC1
InChIInChI=1S/C23H27FN6O.C23H28N6O.C22H24F2N6O.C22H25FN6O/c1-15-5-6-19(13-21(15)24)12-20-14-22(29-9-7-28(8-10-29)18(4)31)26-23(25-20)30-17(3)11-16(2)27-30;1-16-5-7-20(8-6-16)14-21-15-22(28-11-9-27(10-12-28)19(4)30)25-23(24-21)29-18(3)13-17(2)26-29;1-14-10-15(2)30(27-14)22-13-21(29-8-6-28(7-9-29)16(3)31)25-20(26-22)12-17-4-5-18(23)19(24)11-17;1-15-12-16(2)29(26-15)22-14-21(28-10-8-27(9-11-28)17(3)30)24-20(25-22)13-18-4-6-19(23)7-5-18/h5-6,11,13-14H,7-10,12H2,1-4H3;5-8,13,15H,9-12,14H2,1-4H3;4-5,10-11,13H,6-9,12H2,1-3H3;4-7,12,14H,8-11,13H2,1-3H3
InChIKeySZCNALNXCHGEOP-UHFFFAOYSA-N
MW1661.98 g/mol
LogP11.33
Rot. Bonds16

About 1-[4-[2-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[2-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 160977854) has the molecular formula C90H104F4N24O4 and a molecular weight of 1661.98 g/mol. Its IUPAC name is 1-[4-[2-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID160977854
Molecular FormulaC90H104F4N24O4
Molecular Weight1661.98 g/mol
Exact Mass1660.86
IUPAC Name1-[4-[2-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3ccc(F)c(F)c3)n2)CC1.CC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3ccc(F)cc3)n2)CC1.CC(=O)N1CCN(c2cc(Cc3ccc(C)c(F)c3)nc(-n3nc(C)cc3C)n2)CC1.CC(=O)N1CCN(c2cc(Cc3ccc(C)cc3)nc(-n3nc(C)cc3C)n2)CC1
InChIInChI=1S/C23H27FN6O.C23H28N6O.C22H24F2N6O.C22H25FN6O/c1-15-5-6-19(13-21(15)24)12-20-14-22(29-9-7-28(8-10-29)18(4)31)26-23(25-20)30-17(3)11-16(2)27-30;1-16-5-7-20(8-6-16)14-21-15-22(28-11-9-27(10-12-28)19(4)30)25-23(24-21)29-18(3)13-17(2)26-29;1-14-10-15(2)30(27-14)22-13-21(29-8-6-28(7-9-29)16(3)31)25-20(26-22)12-17-4-5-18(23)19(24)11-17;1-15-12-16(2)29(26-15)22-14-21(28-10-8-27(9-11-28)17(3)30)24-20(25-22)13-18-4-6-19(23)7-5-18/h5-6,11,13-14H,7-10,12H2,1-4H3;5-8,13,15H,9-12,14H2,1-4H3;4-5,10-11,13H,6-9,12H2,1-3H3;4-7,12,14H,8-11,13H2,1-3H3
InChIKeySZCNALNXCHGEOP-UHFFFAOYSA-N
XLogP11.33
TPSA268.60 Ų
H-Bond Donors
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001661.98
LogP ≤ 511.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1024

Analyze 1-[4-[2-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-N-[(5-ethyl-2-pyridinyl)methyl]-5-fluoropyrimidin-4-amine;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-(2-phenylethyl)pyrimidine;6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-N-(pyridin-4-ylmethyl)pyrimidin-4-amine;1-[4-[2-[6-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoropyrimidin-4-yl]ethyl]phenyl]pyrrolidin-2-one;4-[2-[4-(1,1-difluoroethyl)phenyl]pyrrolidin-1-yl]-5-fluoro-6-[2-[4-(2H-tetrazol-5-yl)phenyl]ethyl]pyrimidine
CID 157265952
1-[[4-[3-(Fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one
CID 158436954
2-[3,5-Bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(5-bromo-2-pyridinyl)piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-[2-(dimethylamino)-4-pyridinyl]piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-[2-(dimethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-[4-(trifluoromethyl)pyrimidin-2-yl]piperazin-1-yl]ethanone
CID 159197649
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
bis(7-[[5-(3,5-dimethylpyrazol-1-yl)pyrimidin-2-yl]methyl]-2-(2-propan-2-ylphenyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one);7-ethyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-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 159578931
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
1-[[4-[3-(Fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]piperidin-2-one;1-[[4-[3-(fluoromethyl)-4-methyl-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[3-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]phenyl]methyl]pyrrolidin-2-one;1-[[4-[5-(fluoromethyl)-2-(trifluoromethyl)pyrimidin-4-yl]phenyl]methyl]pyrrolidin-2-one
CID 161622596
9-[[4-[1-cyclopropyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-7-methyl-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;methane;7-methyl-9-[(1S)-1-[4-[4-methyl-2-(trifluoromethyl)-4H-imidazol-5-yl]phenyl]ethyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[(1R)-1-[4-[4-methyl-2-(trifluoromethyl)-4H-imidazol-5-yl]phenyl]ethyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one;7-methyl-9-[[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)purin-8-one
CID 161650338
7-[[4-[3-(azetidin-1-yl)-5-methylpyrazol-1-yl]phenyl]methyl]-2-(2-propan-2-yl-3-pyridinyl)-5H-pyrrolo[2,3-d]pyrimidin-6-one;2-(6-fluoro-2-methyl-3-pyridinyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(5-fluoro-2-propan-2-yl-3-pyridinyl)-7-methyl-9-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]purin-8-one;2-(5-fluoro-2-propan-2-yl-3-pyridinyl)-7-[[4-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 161929310
3-[[6-(3,4-difluoroanilino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]butan-2-one;1-[4-[6-[(3,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]morpholin-2-yl]ethanone;1-[(2R)-4-[6-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-2-yl]ethanone;1-[(2S)-4-[6-[(2,4-difluorophenyl)methyl]-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-2-yl]ethanone
CID 157341916
4-[6-[4-[2-[3,5-Bis(4-fluorophenyl)-1,2,4-triazol-1-yl]acetyl]piperazin-1-yl]pyrimidin-4-yl]-1-methylpiperazin-2-one;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-[6-(diethylamino)pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-[6-[(1-methylpiperidin-4-yl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone;2-[3,5-bis(4-fluorophenyl)-1,2,4-triazol-1-yl]-1-[4-(6-pyrrolidin-1-ylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 157354093

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 160977854) is 1-[4-[2-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3ccc(F)c(F)c3)n2)CC1.CC(=O)N1CCN(c2cc(-n3nc(C)cc3C)nc(Cc3ccc(F)cc3)n2)CC1.CC(=O)N1CCN(c2cc(Cc3ccc(C)c(F)c3)nc(-n3nc(C)cc3C)n2)CC1.CC(=O)N1CCN(c2cc(Cc3ccc(C)cc3)nc(-n3nc(C)cc3C)n2)CC1.
What is the InChIKey of 1-[4-[2-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is SZCNALNXCHGEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN6O.C23H28N6O.C22H24F2N6O.C22H25FN6O/c1-15-5-6-19(13-21(15)24)12-20-14-22(29-9-7-28(8-10-29)18(4)31)26-23(25-20)30-17(3)11-16(2)27-30;1-16-5-7-20(8-6-16)14-21-15-22(28-11-9-27(10-12-28)19(4)30)25-23(24-21)29-18(3)13-17(2)26-29;1-14-10-15(2)30(27-14)22-13-21(29-8-6-28(7-9-29)16(3)31)25-20(26-22)12-17-4-5-18(23)19(24)11-17;1-15-12-16(2)29(26-15)22-14-21(28-10-8-27(9-11-28)17(3)30)24-20(25-22)13-18-4-6-19(23)7-5-18/h5-6,11,13-14H,7-10,12H2,1-4H3;5-8,13,15H,9-12,14H2,1-4H3;4-5,10-11,13H,6-9,12H2,1-3H3;4-7,12,14H,8-11,13H2,1-3H3.
What are the key properties of 1-[4-[2-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[2-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 1661.98 g/mol, XLogP of 11.33, 16 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(3,4-difluorophenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(3-fluoro-4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-[(4-fluorophenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone;1-[4-[2-(3,5-dimethylpyrazol-1-yl)-6-[(4-methylphenyl)methyl]pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 160977854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).